SCHEMBL7653423

SCHEMBL7653423

COc1cc(N)c(C#N)c(OC2CCCC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE9A O76083 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 3/20 0.38
PDE4B Q07343 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
FPR2 P25090 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
USP2 O75604 2/20 0.37
GAA P10253 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6953358 0.97 KDM4E (0.40) KMT2AKDM4EMAPK1HSD17B10PDE9A
SCHEMBL7655446 0.79 KMT2A (0.41) KMT2AKDM4EMAPK1HSD17B10PDE9A
SCHEMBL6943425 0.77 TUBB4A (0.39) KMT2AKDM4EMAPK1HSD17B10MEN1
SCHEMBL6948732 0.74 ALDH1A1 (0.36) KDM4EMAPK1HSD17B10ADORA2AADORA1
SCHEMBL7651324 0.74 PDE5A (0.45) KMT2AKDM4EPDE4BALDH1A1FPR2
SCHEMBL6443434 0.72 ADORA1 (0.58) KDM4EMAPK1HSD17B10ADORA2AADORA1
SCHEMBL21823418 0.71 FPR2 (0.46) KMT2AMAPK1PDE9AMEN1PDE4B
SCHEMBL6943414 0.71 KDM4E (0.47) KMT2AKDM4EHSD17B10PDE4BALDH1A1
SCHEMBL6954242 0.71 AR (0.47) KDM4EPDE4BALDH1A1FPR2USP2
SCHEMBL5749526 0.70 ADORA2A (0.43) KMT2AKDM4EMAPK1HSD17B10ADORA2A

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
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed