SCHEMBL9001992

SCHEMBL9001992

O=S(=O)(NCCSc1cccc2nccn12)c1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.63
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.52
QPCT Q16769 1/20 0.51
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HTR7 P34969 2/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL9001942 0.86 CYP3A4 (0.45) PPARGSMN1; SMN2KMT2AHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL9001969 0.85 SCN1A (0.46) PPARGSMN1; SMN2KMT2AHSD17B10ALDH1A1
SCHEMBL9001901 0.80 CYP3A4 (0.48) PPARGSMN1; SMN2QPCTKMT2AHSD17B10
SCHEMBL9001975 0.80 KMT2A (0.47) POLBSMN1; SMN2TSHRKMT2AHSD17B10
SCHEMBL9002062 0.80 PPARG (0.37) PPARGPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL9002027 0.80 CNR2 (0.36) PPARGSMN1; SMN2TSHRKMT2AHSD17B10
SCHEMBL9002030 0.80 CYP3A4 (0.50) PPARGSMN1; SMN2QPCTKMT2AHSD17B10
SCHEMBL9002286 0.79 ALDH1A1 (0.50) POLBSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL9002172 0.79 MAPT (0.43) PPARGPOLBTSHRKMT2AHSD17B10
Hydrochloric Acid SCHEMBL9002295 0.78 ALDH1A1 (0.49) POLBSMN1; SMN2KMT2AALDH1A1GAA

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-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed