SCHEMBL7919296

SCHEMBL7919296

O=C1c2ccccc2C(=O)N1CCSc1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
NPC1 O15118 3/20 0.76
CASP3 P42574 1/20 0.76
SENP8 Q96LD8 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
SENP6 Q9GZR1 1/20 0.76
GAA P10253 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
RPS6KA2 Q15349 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4397266 0.91 CYP1A2 (0.77) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL10421957 0.86 RAB9A (1.00) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL8618065 0.81 NPC1 (0.76) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL10508468 0.81 RAB9A (0.76) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL16444039 0.80 RAB9A (0.69) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL9113979 0.80 RAB9A (0.69) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL18377185 0.79 NPC1 (0.63) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL1471437 0.77 NPC1 (0.61) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL9856191 0.77 NPC1 (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL10458108 0.77 CYP1A2 (1.00) RAB9ASMN1; SMN2NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed
US-5075335-A Enzyme inhibitors EISAI CO., LTD. (JP) 1991-12-24 US disclosed
US-4948808-A ENZYME INHIBITORS EISAI CO., LTD. (JP) 1990-08-14 US disclosed
EP-0229370-B1 GUANIDINOBENZOIC ESTER DERIVATIVE, A PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Eisai Co., Ltd. (JP) 1989-04-19 EP disclosed
US-4801603-A ENZYME INHIBITORS, TREATMENT OF PANCREATITIS, HEMORRHAGE, THROMBOSIS EISAI CO., LTD. (JP) 1989-01-31 US disclosed
EP-0229370-A1 Guanidinobenzoic ester derivative, a process for preparing same and pharmaceutical compositions containing same Eisai Co., Ltd. (JP) 1987-07-22 EP disclosed