SCHEMBL9005147

SCHEMBL9005147

COc1cnnc(Oc2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL10321794 0.80 LTA4H (0.48) RAB9AKDM4EALDH1A1MEN1BRCA1
SCHEMBL9005032 0.76 RAB9A (0.42) RAB9AMEN1KMT2ACLK4NPC1
SCHEMBL18984681 0.74 RAB9A (0.54) RAB9AALDH1A1MEN1KMT2ACLK4
SCHEMBL11107951 0.73 ALDH1A1 (0.59) GRM5RAB9AKDM4EALDH1A1MEN1
SCHEMBL409030 0.73 KDM4E (0.55) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL9005117 0.73 F2RL3 (0.36) RAB9AKDM4EALDH1A1MEN1BRCA1
SCHEMBL9004994 0.73 HDAC1 (0.39) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9005122 0.72 KDM4E (0.49) GRM5RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL29870824 0.72 GABRG2 (0.53) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL28519821 0.72 GABRG2 (0.53) ALDH1A1HTTNPSR1LMNATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484761-A PRE OR POSTEMERGENT HERBICIDES MONSANTO COMPANY (US) 1996-01-16 US disclosed