SCHEMBL4409309

SCHEMBL4409309

N=C(NO)c1ccnc(-n2cccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
LMNA P02545 3/20 0.41
GRM5 P41594 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 5/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
ADORA2A P29274 2/20 0.36

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
SCHEMBL15974174 0.77 LMNA (0.63) PRMT5LMNAKDM4EALDH1A1MAPT
SCHEMBL4537862 0.75 KDM5A (0.56) PRMT5LMNASMN1; SMN2NPC1RAB9A
SCHEMBL18925763 0.75 KDM4E (0.44) PRMT5LMNAGRM5SMN1; SMN2NPC1
SCHEMBL23888697 0.74 LMNA (0.50) LMNAGRM5SMN1; SMN2NPC1RAB9A
SCHEMBL4392713 0.73 LOXL2 (0.49) LMNASMN1; SMN2GLAKMT2AKDM4E
SCHEMBL8008287 0.73 GRM5 (0.56) LMNAGRM5SMN1; SMN2NPC1RAB9A
SCHEMBL2729506 0.73 GRM5 (0.46) LMNAGRM5SMN1; SMN2NPC1RAB9A
SCHEMBL4398938 0.72 HRH4 (0.46) PRMT5SMN1; SMN2RAB9AALDH1A1
SCHEMBL22584985 0.70 KDM4E (0.46) KDM4EMAPK10
SCHEMBL4411361 0.70 PIK3CA (0.63) PRMT5NPC1ALDH1A1

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
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed