SCHEMBL29267446

SCHEMBL29267446

O=Cc1cnc2c(F)cccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ GRM5 P41594 4/20 0.40
▸ ERN1 O75460 2/20 0.40
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CLK2 P49760 1/20 0.36

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
SCHEMBL29254511 0.77 KDM4E (0.48) ERN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2719426 0.77 PARP1 (0.39) PARP1GRM5KMT2AMEN1ALDH1A1
SCHEMBL3829932 0.75 CCR1 (0.63) PARP1ERN1KMT2AMEN1ALDH1A1
SCHEMBL29267439 0.74 PARP1 (0.41) PARP1ERN1KMT2AMEN1ALDH1A1
SCHEMBL10040154 0.73 ALDH1A1 (0.48) PARP1GRM5KMT2AMEN1ALDH1A1
SCHEMBL2719152 0.73 HAVCR2 (0.52) PARP1GRM5KMT2AMEN1SMN1; SMN2
SCHEMBL843955 0.73 ERN1 (0.50) PARP1ERN1KMT2AMEN1ALDH1A1
SCHEMBL2720011 0.72 KMT2A (0.43) PARP1GRM5KMT2AMEN1CDC7
SCHEMBL30996271 0.72 GRM5 (0.40) PARP1GRM5ERN1PRKD3MAP4K4
SCHEMBL18874674 0.71 ERN1 (0.49) ERN1KMT2AMEN1ALDH1A1MAPK1

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-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 — — CN disclosed
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