SCHEMBL9002053

SCHEMBL9002053

COc1ccc(NC(=S)NCCSc2cccc3nccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.48
MAOB P27338 2/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
STAT1 P42224 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9002460 0.89 MAPT (0.52) QPCTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9002430 0.87 MAPT (0.49) QPCTMAOBMAPTALDH1A1LMNA
SCHEMBL9002002 0.87 MAPT (0.50) QPCTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9001962 0.82 QPCT (0.35) QPCTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9001933 0.81 QPCT (0.47) QPCTMAOBMAPTALDH1A1LMNA
SCHEMBL9001977 0.77 MTNR1B (0.37) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9001935 0.77 QPCT (0.50) QPCTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9001951 0.76 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL9001920 0.75 MTNR1A (0.47) ALDH1A1KMT2ANPSR1
SCHEMBL9002244 0.75 SMN1; SMN2 (0.46) MAPTALDH1A1LMNASMN1; SMN2HTT

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