SCHEMBL31639655

SCHEMBL31639655

O=[N+]([O-])c1cc(F)c(N2CC3(CNC3)C2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.33
ADRB1 P08588 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.31
KDM1A O60341 1/20 0.31

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
Hydrochloric Acid SCHEMBL5292108 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A
SCHEMBL29889758 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTADRB1SIRT6
SCHEMBL20328809 0.82 LRRK2 (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A
SCHEMBL22171341 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTHIF1ALMNA
SCHEMBL31640140 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTHIF1ALMNA
SCHEMBL4707290 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A
SCHEMBL5285309 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A
SCHEMBL2450512 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5289445 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A
SCHEMBL4704819 0.75 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTSMN1; SMN2HIF1A

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-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed