SCHEMBL6987406

SCHEMBL6987406

COc1ccc(CCN2C(=O)CSc3sc(C#N)cc32)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.60
MAPK1 P28482 3/20 0.50
OPRK1 P41145 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6989868 0.82 PAX8 (0.60) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6999642 0.82 PAX8 (0.60) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6989105 0.82 GSK3A (0.52) MAPK1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL6991542 0.81 PAX8 (0.59) PAX8MAPK1OPRK1RAB9ANPSR1
Hydrochloric Acid SCHEMBL6989457 0.80 PAX8 (0.58) PAX8MAPK1OPRK1RAB9ANPSR1
Hydrochloric Acid SCHEMBL6992480 0.77 PAX8 (0.54) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6994180 0.76 ALDH1A1 (0.34) ALDH1A1KMT2AMAPT
SCHEMBL4400604 0.76 PAX8 (1.00) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6994508 0.75 MAPT (0.32) KDM4EKMT2AMAPT
SCHEMBL6996186 0.72 GSK3B (0.52) ALDH1A1KMT2ALMNASMN1; SMN2POLB

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-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed