SCHEMBL31434332

SCHEMBL31434332

CC(C)Nc1cc(C#N)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.40
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ IRAK4 Q9NWZ3 10/20 0.34
▸ KAT2B Q92831 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
SCHEMBL28471119 1.00 VCAM1 (0.40) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL309612 0.79 VCAM1 (0.55) VCAM1MEN1KMT2AKAT2B
SCHEMBL29788706 0.78 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2AHCAR3
SCHEMBL20600834 0.78 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2AHCAR3
SCHEMBL19553760 0.74 MAPT (0.55) VCAM1LMNASMN1; SMN2KMT2AHCAR3
SCHEMBL1675905 0.73 VCAM1 (0.44) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14247533 0.72 VCAM1 (0.47) VCAM1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29258675 0.72 VCAM1 (0.47) VCAM1LMNAMEN1KMT2ACYP1A2
SCHEMBL14247077 0.72 VCAM1 (0.51) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4085561 0.71 LMNA (0.41) LMNASMN1; SMN2MEN1KMT2AHCAR3

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-119462516-A Compound of formula I, preparation method and application thereof, and preparation method of Abeli intermediate compound A 广东莱佛士制药技术有限公司 2025-02-18 — — CN disclosed
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