SCHEMBL6938491

SCHEMBL6938491

CC(C)N(C(C)C)P(N)(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA2 P00918 1/20 0.42
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3534845 0.80 L3MBTL1 (0.46) TSHRMEN1KMT2ACA2AOC3
SCHEMBL38651872 0.76 KMT2A (0.52) TSHRMEN1KMT2ACA2AOC3
SCHEMBL28572620 0.76 CA2 (0.39) TSHRCA2ALDH1A1
SCHEMBL28930389 0.75 CA2 (0.47) TSHRCA2AOC3ALDH1A1HPGD
SCHEMBL20549305 0.72 LAP3 (0.46) TSHRCA2AOC3ALDH1A1HPGD
SCHEMBL3885041 0.70 ALDH1A1 (0.52) TSHRMEN1KMT2AAOC3SLC6A2
SCHEMBL10875871 0.68 AOC3 (0.54) TSHRMEN1KMT2ACA2AOC3
SCHEMBL2841914 0.68 MMP2 (0.49) TSHRMEN1KMT2ACA2MMP1
SCHEMBL14304252 0.67 KCNA5 (0.56) TSHRCA2AOC3ALDH1A1MMP1
SCHEMBL17377380 0.67 L3MBTL1 (0.47) TSHRMEN1KMT2ACA2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072476-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-05-14 CN disclosed
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
EP-0773941-B1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORP (US) 2003-05-14 EP disclosed
US-6528500-B1 Excellent antimycotic action, good aqueous solubility SSP CO., LTD. (JP) 2003-03-04 US disclosed
EP-1088827-B1 Azole derivatives or salts thereof SSP CO LTD (JP) 2003-01-15 EP disclosed
US-6403564-B1 Ribavirin-interferon alfa combination therapy for eradicating detectable HCV-RNA in patients having chronic hepatitis C infection SCHERING CORPORATION 2002-06-11 US disclosed
EP-0736030-B1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORP (US) 2001-08-29 EP disclosed
EP-1088827-A1 Azole derivatives or salts thereof SSP Co., Ltd. (JP) 2001-04-04 EP disclosed
US-5714490-A 4-(4-(4-(-((5-(2,4-DIHALOPHENYL)--TETRAHYDRO-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)TETRAHYDROFUR-3-YL)METHOXY)PHENYL)-2,4-DIHYDRO-2-(MONO- OR DIHYDROXYALKYL)-3H-1,2,4-TRIAZOL-3-ONE; BROAD SPECTRUM; WATER SOLUBILITY; ASPERGILLUS; CANDIDA SCHERING CORPORATION (US) 1998-02-03 US disclosed
US-5710154-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1998-01-20 US disclosed
US-5703236-A PROTECTING; REACTING WITH GRIGNARD REAGENT; REDUCTION; CYCLIZATION; DEPROTECTING SCHERING CORPORATION (US) 1997-12-30 US disclosed
US-5703079-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1997-12-30 US disclosed
US-5698557-A Hydroxy-substituted antifungals SCHERING CORPORATION (US) 1997-12-16 US disclosed
US-5693626-A TREATING OR PREVENTING FUNGAL INFECTIONS BY ORAL OR PARENTERAL ADMINISTRATION SCHERING CORPORATION (US) 1997-12-02 US disclosed
US-5661151-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1997-08-26 US disclosed
EP-0773941-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1997000248-A1 HYDROXYALKYL-SUBSTITUTED TRIAZOLONES ANTIFUNGALS SCHERING CORPORATION (US) 1997-01-03 WO disclosed
WO-1996038443-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1996-12-05 WO disclosed
EP-0736030-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1996-10-09 EP disclosed
WO-1995017407-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1995-06-29 WO disclosed