SCHEMBL30451893

SCHEMBL30451893

COc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
AR P10275 3/20 0.42
PGR P06401 2/20 0.42
NOTUM Q6P988 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1041682 1.00 EPHX2 (0.43) EPHX2ARPGRNOTUMCYP11B1
SCHEMBL1042195 0.86 NOTUM (0.54) EPHX2ARPGRNOTUMCYP11B1
SCHEMBL9133188 0.82 CA1 (0.50) MAPTLMNACA12CA1CA2
SCHEMBL23457095 0.82 CA1 (0.41) MAPTCA12CA1CA2CA7
SCHEMBL4628852 0.81 EPHX2 (0.46) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL1045536 0.80 NOTUM (0.39) NOTUMMAPTLMNASMN1; SMN2EPHX1
SCHEMBL4059164 0.80 NOTUM (0.39) NOTUMMAPTLMNASMN1; SMN2EPHX1
SCHEMBL30649163 0.79 NQO1 (0.45) ARMAPTLMNAMEN1NPC1
SCHEMBL30628299 0.79 MAPT (0.42) NOTUMMAPTLMNASMN1; SMN2EPHX1
SCHEMBL3108999 0.79 NQO1 (0.45) ARMAPTLMNAMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
CN-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed