SCHEMBL10410046

SCHEMBL10410046

COC(=O)C=Cc1c(C)nc(C)nc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GABRA5 P31644 1/20 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
SCHEMBL10410049 1.00 ALDH1A1 (0.41) ALDH1A1PKMSMN1; SMN2NPC1CASP3
SCHEMBL10411182 0.78 EGLN1 (0.38) ALDH1A1EGLN1
SCHEMBL10411184 0.78 EGLN1 (0.38) ALDH1A1EGLN1
SCHEMBL7557484 0.76 EGLN1 (0.40) ALDH1A1EGLN1POLB
SCHEMBL10411663 0.76 EGLN1 (0.39) EGLN1
SCHEMBL10517235 0.76 HMGCR (0.40) ALDH1A1EGLN1ESR1
SCHEMBL8846678 0.73 ADORA2A (0.38) NPC1RAB9AEGLN1
SCHEMBL12078694 0.73 SMN1; SMN2 (0.40) ALDH1A1PKMSMN1; SMN2NPC1CASP3
SCHEMBL12078696 0.73 SMN1; SMN2 (0.40) ALDH1A1PKMSMN1; SMN2NPC1CASP3
SCHEMBL10410206 0.72 HMGCR (0.44) ALDH1A1EGLN1ESR1

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
US-4929620-A ANTILIPEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4868185-A HYPOLIPIDEMIC, ANTICHOLESTEROL WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed