SCHEMBL29856256

SCHEMBL29856256

CN(C)/C=C/c1ccncc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.51
▸ CDK8 P49336 2/20 0.51
▸ HTT P42858 1/20 0.36
▸ ALOX15 P16050 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ADRA2A P08913 1/20 0.31

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
SCHEMBL1368649 0.79 CCNC (0.56) CCNCCDK8AXL
SCHEMBL1368647 0.79 CCNC (0.56) CCNCCDK8AXL
SCHEMBL25402891 0.74 — —
SCHEMBL3828343 0.74 HTT (0.40) HTTKMT2AMEN1NPC1MAPT
SCHEMBL2982328 0.74 HTT (0.40) HTTKMT2AMEN1NPC1MAPT
SCHEMBL13773302 0.74 HTT (0.40) HTTKMT2AMEN1NPC1MAPT
SCHEMBL15271837 0.73 CCNC (0.54) CCNCCDK8ALOX15SMN1; SMN2KMT2A
SCHEMBL4899871 0.71 ALDH1A1 (0.40) HTTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4899860 0.71 ALDH1A1 (0.40) HTTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30570000 0.71 — —

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 — — WO disclosed
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