SCHEMBL31497258

SCHEMBL31497258

C=CCNc1ccc(S(=O)(=O)Nc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.62
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
ALOX12 P18054 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
TCF4 P15884 1/20 0.53
ALOX15 P16050 1/20 0.53
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
CYP2C19 P33261 1/20 0.53
CTNNB1 P35222 1/20 0.53
PSMB2 P49721 1/20 0.53

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
SCHEMBL9978110 0.82 KDM4E (0.70) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2241117 0.81 ALOX12 (0.60) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8067727 0.80 KDM4E (0.66) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2243779 0.79 KDM4E (0.60) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12360624 0.79 KDM4E (0.57) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15986425 0.79 KDM4E (0.70) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15579425 0.78 KDM4E (0.58) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1667129 0.77 KDM4E (0.75) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL547543 0.77 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL5486413 0.76 KDM4E (0.70) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A

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