SCHEMBL8523638

SCHEMBL8523638

C=C(C)C(=O)Nc1ccc(NOC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.61
TDP1 Q9NUW8 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
BAZ1A Q9NRL2 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TGM2 P21980 1/20 0.40
MAPT P10636 2/20 0.39
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL439393 0.88 RXFP1 (0.74) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5005383 0.83 NPC1 (0.63) RXFP1SMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL17084525 0.82 RXFP1 (0.67) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL529066 0.81 MEN1 (0.61) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL959539 0.80 RXFP1 (0.65) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL124216 0.80 RXFP1 (0.65) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL8465748 0.79 NPC1 (0.58) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5071228 0.78 RXFP1 (0.62) RXFP1TDP1SMN1; SMN2L3MBTL1POLB
Hydrochloric Acid SCHEMBL7460090 0.78 RXFP1 (0.62) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL17299114 0.78 RXFP1 (0.62) RXFP1TDP1SMN1; SMN2L3MBTL1POLB

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
US-5936038-A MIXTURE CONTAINING ELASTOMER HAVING PENDANT REACTIVE AMINE GROUP AND PHENOLIC RESIN CURATIVE THE UNIVERSITY OF AKRON (US) 1999-08-10 US claimed