SCHEMBL9768082

SCHEMBL9768082

O=C(CNc1ccc(Br)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.51
ALPG P10696 6/20 0.51
TOP1 P11387 1/20 0.47
PLAA Q9Y263 4/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
NSD2 O96028 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL9768193 0.84 CA12 (0.61) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768023 0.84 ALPL (0.51) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768107 0.84 ALPL (0.51) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768260 0.84 ERCC1 (0.60) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768241 0.84 AKR1C3 (0.49) ALPLALPGTOP1PLAAERCC1
SCHEMBL9768092 0.81 CA1 (0.64) ALPLALPGPLAAERCC1ERCC4
SCHEMBL9768118 0.81 P2RX1 (0.49) ALPLALPGTOP1PLAAERCC1
SCHEMBL19707281 0.79 PTPN1 (0.55) CA12CA1CA2CA9NPC1
SCHEMBL9768311 0.79 ERCC1 (0.51) ALPLALPGPLAAERCC1ERCC4
SCHEMBL9768234 0.78 INSR (0.57) ALPLALPGPLAAERCC1ERCC4

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed