SCHEMBL8964790

SCHEMBL8964790

Cc1ccc2nc(-c3cc4oc5ccccc5c4cc3O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.53
HSD17B10 Q99714 3/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
ESR1 P03372 8/20 0.52
ESR2 Q92731 8/20 0.52
KDM4E B2RXH2 6/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 3/20 0.51
PKM P14618 1/20 0.51
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL8965506 0.91 KDM4E (0.56) HSD17B10NPC1RAB9AESR1ESR2
SCHEMBL8964800 0.86 KDM6B (0.64) HSD17B10NPC1RAB9AESR1ESR2
SCHEMBL12304267 0.82 HSD17B10 (0.66) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL802768 0.81 HSD17B10 (0.60) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL12304263 0.81 KDM4E (0.62) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL8964898 0.81 RPS6KA3 (0.49) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL8964793 0.80 RPS6KA3 (0.54) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL3134187 0.78 KDM6B (0.73) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL18086820 0.78 RPS6KA3 (0.57) RPS6KA3HSD17B10NPC1RAB9AESR1
SCHEMBL8964550 0.77 RPS6KA3 (0.46) RPS6KA3HSD17B10NPC1RAB9AESR1

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US claimed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed