SCHEMBL31662833

SCHEMBL31662833

CN(C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
TSHR P16473 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
NOS1 P29475 6/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NOS2 P35228 4/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOS3 P29474 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
KLKB1 P03952 1/20 0.42
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL348900 1.00 ALDH1A1 (0.48) ALDH1A1PNMTENPP2TSHRLOXL2
Hydrochloric Acid SCHEMBL25180658 0.98 ALDH1A1 (0.47) ALDH1A1PNMTENPP2TSHRLOXL2
SCHEMBL31318817 0.83 TAAR1 (0.57) ALDH1A1TSHRLOXL2NOS1NOS2
SCHEMBL6827042 0.83 TAAR1 (0.57) ALDH1A1TSHRLOXL2NOS1NOS2
Tert-Butyl Formate SCHEMBL27816894 0.82 AOC3 (0.39) ALDH1A1PNMTENPP2TSHRLOXL2
SCHEMBL11861528 0.82 HDAC1 (0.60) ALDH1A1TSHRNOS1HDAC1HDAC6
SCHEMBL21649568 0.82 PNMT (0.44) ALDH1A1PNMTENPP2LOXL2NOS1
SCHEMBL2568377 0.80 TAAR1 (0.55) ALDH1A1TSHR
SCHEMBL129446 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL30966769 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed