SCHEMBL6238042

SCHEMBL6238042

Cc1ccc2[nH]cc(C(=O)c3ccccc3N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
NR4A2 P43354 1/20 0.56
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDR P35968 2/20 0.49
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
HTT P42858 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL6251507 0.82 GPR84 (0.77) NR4A2GPR84ALDH1A1KDRMAPT
SCHEMBL6257685 0.79 ALDH1A1 (0.53) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL8109983 0.77 NR4A2 (0.67) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL3976054 0.77 NR4A2 (0.71) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL6327424 0.76 GPR84 (0.60) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL27811127 0.76 HSD17B10 (0.79) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL3725153 0.75 NR4A2 (0.63) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL11803848 0.74 LMNA (0.71) LMNARAB9ANR4A2HSD17B10KDM4E
SCHEMBL5962865 0.74 MAPT (0.51) HSD17B10KDM4EALDH1A1HTTMAPT
SCHEMBL9717019 0.74 MAPK13 (0.55) HSD17B10KDM4EALDH1A1HTTMAPT

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
WO-2005000813-A1 HETEROARYLAMINO-PHENYLKETONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-06 WO disclosed