SCHEMBL7076590

SCHEMBL7076590

COc1ccc(NC(=S)N(CCc2cncn2Cc2ccc([N+](=O)[O-])cc2)Cc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
LMNA P02545 3/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37

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
SCHEMBL7077725 0.92 YES1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7174972 0.88 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2FNTAFNTB
SCHEMBL7083742 0.87 MMP1 (0.44) ALDH1A1MAPTSMN1; SMN2FNTAFNTB
SCHEMBL7084385 0.87 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8492986 0.84 FNTA (0.39) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7078460 0.78 MEN1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7083275 0.78 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8502192 0.77 FNTA (0.37) ALDH1A1MAPTSMN1; SMN2FNTAFNTB
SCHEMBL8498192 0.77 FNTA (0.37) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8492011 0.77 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed