SCHEMBL9689634

SCHEMBL9689634

Cc1nc2ccccn2c1CCO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 4/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
DPP4 P27487 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL859998 0.86 KDM4E (0.65) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL21995802 0.83 KMT2A (0.47) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL2759541 0.81 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL24348727 0.79 DPP4 (0.63) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL20138279 0.79 KDM4E (0.51) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL859623 0.79 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL16156201 0.79 KMT2A (0.58) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL6491197 0.78 ENPP2 (0.60) KDM4EKMT2AALDH1A1GAAMAPK1
SCHEMBL13341899 0.78 NPC1 (0.55) KDM4EALDH1A1GAAHSD17B10HTT
SCHEMBL13348090 0.77 KDM4E (0.45) KDM4EKMT2AALDH1A1GAAMAPK1

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-0294074-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-04-08 EP disclosed
US-4851412-A ASTHMA, ARTHRITIS PFIZER INC. (US) 1989-07-25 US disclosed
EP-0294074-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-12-07 EP disclosed