SCHEMBL31500102

SCHEMBL31500102

Fc1ccc2ccc(C3CCCCN3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ PARP1 P09874 2/20 0.35
▸ MPO P05164 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL31500094 1.00 KMT2A (0.38) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL8918069 0.80 CYP2D6 (0.52) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL15448490 0.78 CDC7 (0.41) CYP2C19CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL3858510 0.75 PLAU (0.44) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL16429508 0.75 TAAR1 (0.49) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL13350394 0.74 SCN10A (0.51) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL17962245 0.73 KCNH2 (0.38) KMT2AMEN1CYP1A2CHRNB2CHRNA7
SCHEMBL17971302 0.73 PIK3CG (0.48) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL13243261 0.72 TAAR1 (0.44) KCNH2TAAR1
SCHEMBL15692068 0.71 TAAR1 (0.62) KMT2ACYP2D6CYP2C19MEN1CYP1A2

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-119968371-A Novel PRMT5 inhibitor and application thereof 上海湃隆生物科技有限公司 2025-05-09 — — CN disclosed
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