SCHEMBL28045795

SCHEMBL28045795

Cc1cc(C(=O)O)c(Cc2cccc(Br)c2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SORT1 Q99523 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MAOB P27338 4/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CFD P00746 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HNF4A P41235 1/20 0.40
▸ LRRK2 Q5S007 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
SCHEMBL27902935 0.84 HNF4A (0.50) HNF4A
SCHEMBL18796660 0.75 PDE3B (0.55) HCAR2MEN1KMT2A
SCHEMBL28220773 0.75 TSHR (0.57) HCAR2MEN1KMT2AEGFRERBB2
SCHEMBL11820882 0.75 HCAR2 (0.50) HCAR2MEN1KMT2AEGFRERBB2
SCHEMBL11818397 0.75 HCAR2 (0.50) HCAR2MEN1KMT2AMAOBMAOA
SCHEMBL27633121 0.74 ALDH1A1 (0.48) MEN1KMT2AHNF4A
SCHEMBL28028683 0.73 TTR (0.46) MEN1KMT2ASORT1MYC
SCHEMBL27463279 0.73 KDM4E (0.47) MEN1KMT2AHNF4A
SCHEMBL27542160 0.72 TSHR (0.53) HCAR2MEN1KMT2AMAOBMRGPRX4
SCHEMBL28050503 0.71 MRGPRX4 (0.54) HCAR2MEN1KMT2AEGFRERBB2

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
CN-105283182-A Treatment of cancer with heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC 2016-01-27 — — CN disclosed
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