SCHEMBL31497252

SCHEMBL31497252

C=CCNc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.56
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 2/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 5/20 0.51
GFER P55789 1/20 0.47
RNF4 P78317 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 2/20 0.46
PGR P06401 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL5773729 0.92 CA12 (0.53) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL16371883 0.82 CA12 (0.53) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL11051 0.82 CA12 (0.53) TGM2GAASMN1; SMN2RAB9AHTT
Hydrochloric Acid SCHEMBL728400 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL28296540 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
Water SCHEMBL10657216 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
Iodide SCHEMBL11631405 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL253353 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL10385905 0.80 CA12 (0.52) TGM2GAASMN1; SMN2RAB9AHTT
SCHEMBL6082199 0.80 MEN1 (0.57) GAASMN1; SMN2RAB9AALDH1A1CA12

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
CN-119798090-A Palladium-catalyzed synthesis method of N-monoallylamine derivative 深圳职业技术大学 2025-04-11 CN disclosed