SCHEMBL7425850

SCHEMBL7425850

Cc1c(NC(=O)C(CS)Cc2ccccc2)cccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.52
ALDH1A1 P00352 3/20 0.52
ACE P12821 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
ECE1 P42892 1/20 0.51
BLM P54132 1/20 0.51
NPEPPS P55786 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL9456897 0.93 SMN1; SMN2 (0.47) MMEALDH1A1HSD17B10CYP2C9KDM4E
SCHEMBL10572943 0.88 MME (0.57) MMEALDH1A1ACEHSD17B10HPGD
Ammonia Solution, Strong SCHEMBL7396347 0.87 MME (0.56) MMEALDH1A1ACEHSD17B10HPGD
Ammonia Solution, Strong SCHEMBL7396350 0.87 MME (0.56) MMEALDH1A1ACEHSD17B10HPGD
SCHEMBL7436407 0.85 MME (0.50) MMEALDH1A1ACEHSD17B10HPGD
SCHEMBL7429812 0.84 CYP2C9 (0.47) MMEALDH1A1HSD17B10CYP2C9KDM4E
SCHEMBL7430329 0.83 CYP2C9 (0.51) MMEALDH1A1ACEHSD17B10MEN1
SCHEMBL7438795 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL7429403 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL7432768 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US claimed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP claimed
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed