SCHEMBL25928974

SCHEMBL25928974

C=C(C)C(=O)Nc1ccc(C(=N)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
RXFP1 Q9HBX9 1/20 0.53
CYP19A1 P11511 7/20 0.53
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL203115 0.87 ALDH1A1 (0.69) TDP1RXFP1CYP19A1ALDH1A1L3MBTL1
SCHEMBL219147 0.82 KDM4E (0.66) TDP1RXFP1ALDH1A1L3MBTL1RAB9A
SCHEMBL345555 0.81 RXFP1 (0.61) TDP1RXFP1CYP19A1ALDH1A1L3MBTL1
SCHEMBL439393 0.80 RXFP1 (0.74) TDP1RXFP1ALDH1A1L3MBTL1RAB9A
SCHEMBL2135316 0.80 F2 (0.73) TDP1RXFP1F2PRSS1PRSS2
SCHEMBL166821 0.80 MAPT (0.67) TDP1RXFP1ALDH1A1RAB9ANPC1
SCHEMBL19501001 0.80 NPC1 (0.67) TDP1RXFP1ALDH1A1RAB9ANPC1
Dimethylamine SCHEMBL10625504 0.79 KDM4E (0.61) TDP1RXFP1ALDH1A1L3MBTL1RAB9A
SCHEMBL7800028 0.79 TDP1 (0.66) TDP1RXFP1ALDH1A1L3MBTL1RAB9A
SCHEMBL17299114 0.79 RXFP1 (0.62) TDP1RXFP1CYP19A1ALDH1A1L3MBTL1

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
EP-3265514-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2023-08-02 EP disclosed