SCHEMBL9001935

SCHEMBL9001935

S=C(NCCSc1cccc2nccn12)Nc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 6/20 0.45
HTT P42858 4/20 0.45
ALOX12 P18054 3/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
KDM1A O60341 1/20 0.42
HPGD P15428 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9002430 0.84 MAPT (0.49) QPCTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9001962 0.80 QPCT (0.35) QPCTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9002002 0.79 MAPT (0.50) QPCTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9002460 0.79 MAPT (0.52) QPCTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9002071 0.79 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL9002227 0.78 HPGD (0.49) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9001933 0.78 QPCT (0.47) QPCTMAPTMEN1KMT2AHTT
SCHEMBL9002053 0.77 QPCT (0.48) QPCTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9002244 0.73 SMN1; SMN2 (0.46) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9001920 0.73 MTNR1A (0.47) KMT2AALDH1A1NPSR1

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