SCHEMBL31284601

SCHEMBL31284601

Fc1cn(-c2cc(N=C(c3ccccc3)c3ccccc3)ccc2Cl)nn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.38
▸ BCHE P06276 1/20 0.37
▸ KCNMA1 Q12791 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ NPFFR1 Q9GZQ6 1/20 0.32
▸ NPFFR2 Q9Y5X5 1/20 0.32

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
SCHEMBL31284775 0.81 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31284651 0.81 ESR1 (0.36) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31284106 0.81 KAT6A (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31284998 0.77 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31284391 0.76 MEN1 (0.40) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31284304 0.71 NOTUM (0.42) NOTUMESR1ESR2
SCHEMBL31284776 0.70 NOTUM (0.43) NOTUMBCHE
SCHEMBL31284591 0.70 NOTUM (0.43) NOTUMBCHECYP3A4
SCHEMBL30946402 0.62 ESR1 (0.34) CYP1A2CYP2C9CYP2C19NPSR1ESR1
SCHEMBL12443625 0.62 P2RX7 (0.55) NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743085-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-20 — — EP disclosed
WO-2025019357-A2 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
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