SCHEMBL9218552

SCHEMBL9218552

CCCCCCCNC(=O)c1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
ALOX15 P16050 5/20 0.52
PTGS2 P35354 2/20 0.47
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX1 P07099 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 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
SCHEMBL12922067 0.76 HDAC1 (0.62) ALOX15PTGS2RAB9AALDH1A1
SCHEMBL9212419 0.76 GAA (0.62) NAAAALOX15USP2RAB9AALDH1A1
SCHEMBL9209956 0.73 PTPN1 (0.51) HTT
SCHEMBL9212465 0.73 HDAC1 (0.54) NAAAALOX15RAB9AEPHX1ALDH1A1
SCHEMBL2506707 0.72 LMNA (0.49) ALOX15RAB9AALDH1A1HTT
SCHEMBL6360786 0.72 PTGS2 (0.51) ALOX15PTGS2RAB9AALDH1A1
SCHEMBL11601813 0.72 CNR2 (0.53)
SCHEMBL2958622 0.72 MCL1 (0.61) ALOX15PTGS2ALDH1A1
SCHEMBL975593 0.72 LMNA (0.69) ALOX15ALDH1A1
SCHEMBL1002305 0.71 NAAA (1.00) NAAARAB9AEPHX1ALDH1A1HTT

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 2 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
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