SCHEMBL6489669

SCHEMBL6489669

[CH2]c1cccc2[nH]c(C(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
PARP1 P09874 10/20 0.44
MLKL Q8NB16 1/20 0.36
HTR3A P46098 2/20 0.35
HTR4 Q13639 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL3974683 0.82 POLB (0.53) HSD17B10ALDH1A1HPGDKDM4EPARP1
SCHEMBL24995382 0.80 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL4125230 0.80 MGAM (0.50) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL28871223 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL7966359 0.79 MEN1 (0.50) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL4118985 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL1272228 0.79 PSMB8 (0.51) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL29967781 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL3969023 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL19540004 0.76 HSD17B10 (0.45) HSD17B10ALDH1A1HPGDKDM4ELMNA

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-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed