SCHEMBL24195802

SCHEMBL24195802

CNc1cc([N+](=O)[O-])c(F)cc1C=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ GALR2 O43603 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ESPL1 Q14674 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ VCAM1 P19320 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL25859507 0.95 POLB (0.39) POLBGALR2LMNATDP1ESPL1
SCHEMBL25859572 0.79 HCAR3 (0.41) POLBGALR2LMNATDP1HCAR3
SCHEMBL23418074 0.78 HCAR3 (0.47) POLBGALR2LMNATDP1ESPL1
SCHEMBL24933592 0.76 ATM (0.36) LMNATDP1ESPL1ATMALDH1A1
SCHEMBL19239593 0.74 ALDH1A1 (0.42) TDP1ESPL1ATMHCAR3ALDH1A1
SCHEMBL8270845 0.73 TDP1 (0.42) POLBLMNATDP1ESPL1ATM
SCHEMBL20750204 0.73 TDP1 (0.42) POLBGALR2LMNATDP1ESPL1
SCHEMBL22025579 0.72 MAPT (0.50) LMNATDP1ALDH1A1HTTMAPT
SCHEMBL3413676 0.72 MAPT (0.54) POLBLMNATDP1ALDH1A1HIF1A
SCHEMBL9901830 0.72 TDP1 (0.47) POLBLMNATDP1ESPL1ATM

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
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 — — WO disclosed
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