SCHEMBL6989868

SCHEMBL6989868

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.60
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.50
OPRK1 P41145 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 4/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
HTT P42858 1/20 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
SCHEMBL6999642 0.92 PAX8 (0.60) PAX8LMNAKMT2AMAPK1OPRK1
SCHEMBL6991542 0.91 PAX8 (0.59) PAX8LMNAKMT2AMAPK1OPRK1
Hydrochloric Acid SCHEMBL6989457 0.90 PAX8 (0.58) PAX8LMNAKMT2AMAPK1OPRK1
Hydrochloric Acid SCHEMBL6992480 0.85 PAX8 (0.54) PAX8LMNAKMT2AMAPK1OPRK1
SCHEMBL6996093 0.83 GSK3A (0.51) LMNAKMT2AALDH1A1MAPTUSP2
SCHEMBL6987406 0.82 PAX8 (0.60) PAX8LMNAKMT2AMAPK1OPRK1
SCHEMBL6989440 0.76 ALDH1A1 (0.50) PAX8LMNAKMT2ANPSR1ALDH1A1
SCHEMBL4400604 0.76 PAX8 (1.00) PAX8LMNAKMT2AMAPK1OPRK1
SCHEMBL6992255 0.75 ALDH1A1 (0.47) LMNAKMT2AMAPK1NPSR1ALDH1A1
SCHEMBL6996615 0.74 GSK3A (0.53) LMNAKMT2ARAB9AALDH1A1MAPT

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