SCHEMBL7101700

SCHEMBL7101700

COc1cc[c]c(-c2cccc(Br)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL323109 0.86 DYRK1A (0.49) MAOBNPC1HPGDRAB9AUSP2
SCHEMBL16719334 0.82 NFE2L2 (0.46) MAOBNPC1HPGDRAB9AMAPK1
SCHEMBL4468568 0.81 MEN1 (0.40) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL7033071 0.81 CA4 (0.43) MEN1KMT2AMAPTNPC1TP53
SCHEMBL6683909 0.81 MEN1 (0.42) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL4288060 0.81 HSD17B1 (0.44) GABRG2GABRB3GABRA3MEN1KMT2A
SCHEMBL5887447 0.78 HSD17B2 (0.46)
SCHEMBL9649780 0.78 GABRP (0.42) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL10918406 0.78 CYP11B1 (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8780023 0.77 NFE2L2 (0.45) MAOBNPC1RAB9ACYP1A1CYP1A2

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-20030226220-A1 Yellow images with improved light stability and yellow dyes useful therein EASTMAN KODAK COMPANY 2003-12-11 US disclosed