SCHEMBL31543922

SCHEMBL31543922

Cn1ncc2c(F)c(Br)c([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CREBBP Q92793 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 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
SCHEMBL31543896 0.80 CREBBP (0.43) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL1780298 0.78 CREBBP (0.46) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL27227902 0.78 CREBBP (0.46) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL21271993 0.77 MAPT (0.41) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL21273360 0.75 MAPT (0.38) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL30448079 0.75 MAPT (0.38) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL12175756 0.74 DGAT1 (0.34) CREBBP
SCHEMBL10596779 0.74 HPRT1 (0.46) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL31543921 0.73 MAPT (0.38) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL30860915 0.73 CREBBP (0.47) MAPTHTTLMNAKDM4ENPSR1

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-2025098515-A1 HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2025-05-15 — — WO disclosed
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