SCHEMBL31663012

SCHEMBL31663012

N#Cc1cccc(N=[N+]=[N-])c1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AR P10275 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL28320699 0.85 LMNA (0.42) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL23748422 0.79 LMNA (0.35) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL31663089 0.79 LMNA (0.35) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL14691380 0.75 VCAM1 (0.41) ALDH1A1TSHRSMN1; SMN2MEN1MAPT
SCHEMBL29471939 0.75 S100B (0.43) LMNAALDH1A1TSHR
SCHEMBL15124607 0.75 S100B (0.43) LMNAALDH1A1TSHR
SCHEMBL3237062 0.73 TSHR (0.46) ALDH1A1TSHRARDYRK1APDK2
SCHEMBL22914960 0.72 TSHR (0.45) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL27376196 0.72 PTPN11 (0.33) ALDH1A1CA1CA2
SCHEMBL23088100 0.71 CYP2A6 (0.38) LMNAALDH1A1MEN1MAPTKMT2A

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 — — WO disclosed
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