SCHEMBL30851289

SCHEMBL30851289

FC(F)(F)c1ccc(C2CCNCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.57
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ MAP3K12 Q12852 1/20 0.40
▸ PLAT P00750 1/20 0.40

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
SCHEMBL5471696 1.00 HTR2C (0.57) HTR2CMEN1POLBKMT2AMAPK1
SCHEMBL8253641 0.90 HTR2C (0.50) HTR2CMAP3K12
Hydrochloric Acid SCHEMBL31500114 0.89 HTR2C (0.51) HTR2CMAP3K12
SCHEMBL16452781 0.88 KMT2A (0.42) HTR2CKMT2A
SCHEMBL29852305 0.88 KMT2A (0.42) HTR2CKMT2A
Hydrochloric Acid SCHEMBL23211937 0.86 HTR2C (0.47) HTR2CMEN1POLBKMT2AMAPK1
SCHEMBL28131310 0.84 ALOX5AP (0.43) HTR2CKMT2A
SCHEMBL16452775 0.84 PPARD (0.40) HTR2CKMT2A
SCHEMBL17729510 0.83 CHRNB2 (0.49) HTR2CKMT2A
SCHEMBL25647216 0.83 PPARD (0.42) KMT2A

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-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 — — CN disclosed
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