SCHEMBL5330618

SCHEMBL5330618

[CH2]SC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SRC P12931 1/20 0.36
HRH1 P35367 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
GRM7 Q14831 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL775058 0.75 TSHR (0.48) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL776890 0.75 TSHR (0.48) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL3956655 0.73 TSHR (0.46) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL1145685 0.72 KMT2A (0.42) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL23713651 0.71 TSHR (0.44) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL4976471 0.71 TSHR (0.50) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL8813043 0.71 TSHR (0.44) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL775059 0.71 TSHR (0.44) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL9188707 0.71 TSHR (0.44) TSHRSLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL7963041 0.70 SLC6A3 (0.56) TSHRSLC6A3CYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090615-C Nα-2- (4-nitrophenylsulfonyl) ethoxycarbonyl amino acid HYUNDAI PHARMACEUTICAL INDUSTR (KR) 2002-09-11 CN claimed
US-6265590-B1 NEW PROTECTED AMINO ACID DERIVATIVES USEFUL FOR PEPTIDE SYNTHESIS HYUNDAI PHARM, IND. CO., LTD. (KR) 2001-07-24 US claimed
CN-1234793-A N 'alpha'-2-(4-nitrophenylsulfonyl) ethyoxycarbonyl-amino acids HYUNDAI PHARMACEUTICAL INDUSTR (KR) 1999-11-10 CN claimed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP claimed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO claimed
WO-2007007054-A1 PHTHALAMIDES, SUCCINIMIDES AND RELATED COMPOUNDS AND THEIR USE AS PHARMACEUTICALS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-01-18 WO disclosed
CN-1090615-C Nα-2- (4-nitrophenylsulfonyl) ethoxycarbonyl amino acid HYUNDAI PHARMACEUTICAL INDUSTR (KR) 2002-09-11 CN disclosed
US-6265590-B1 NEW PROTECTED AMINO ACID DERIVATIVES USEFUL FOR PEPTIDE SYNTHESIS HYUNDAI PHARM, IND. CO., LTD. (KR) 2001-07-24 US disclosed
CN-1234793-A N 'alpha'-2-(4-nitrophenylsulfonyl) ethyoxycarbonyl-amino acids HYUNDAI PHARMACEUTICAL INDUSTR (KR) 1999-11-10 CN disclosed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO disclosed