SCHEMBL9213625

SCHEMBL9213625

O=C(NCc1ccccc1)c1oc(-c2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP3 P08254 3/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MMP12 P39900 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL9212149 0.96 SCN2A (0.50) HPGDCYP1A2CYP3A4CYP2C19MMP3
SCHEMBL9218881 0.92 SMN1; SMN2 (0.55) HPGDMMP3SCN2ASCN10ATP53
SCHEMBL9219766 0.88 ALDH1A1 (0.53) HPGDMMP3SCN2ASCN10ATP53
SCHEMBL9216907 0.83 ALDH1A1 (0.53) HPGDMMP3SCN2ASCN10ATP53
SCHEMBL9217404 0.82 SMN1; SMN2 (0.60) CYP2C19MMP3TP53SMN1; SMN2LMNA
SCHEMBL9216807 0.81 ALDH1A1 (0.52) HPGDCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9218746 0.81 NAAA (0.48) ALDH1A1CNR1
SCHEMBL9211748 0.80 ADORA3 (0.49) HPGDSMN1; SMN2ALDH1A1
SCHEMBL9221111 0.80 ALDH1A1 (0.51) HPGDCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9213606 0.80 SMN1; SMN2 (0.56) HPGDCYP1A2CYP3A4CYP2C19TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed