SCHEMBL20181950

SCHEMBL20181950

CC(C)(O)CNC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
YTHDC1 Q96MU7 1/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK10 P53779 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
FLT3 P36888 4/20 0.56
CDK2 P24941 2/20 0.56
CCNA2 P20248 1/20 0.56
CCNA1 P78396 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
STAT3 P40763 1/20 0.55
HIF1A Q16665 1/20 0.55
IDO1 P14902 1/20 0.53

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
SCHEMBL14314019 0.90 KDM4E (0.65) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL30068590 0.88 KDM4E (0.62) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL30644770 0.81 KDM4E (0.67) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL20287865 0.81 KDM4E (0.67) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL10258485 0.80 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL6360185 0.80 KDM4E (0.75) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL23854779 0.80 YTHDC1 (0.69) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL7846799 0.79 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL4464788 0.79 KDM4E (0.78) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A
SCHEMBL952028 0.78 SMN1; SMN2 (0.77) KDM4ESMN1; SMN2YTHDC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed