SCHEMBL7823604

SCHEMBL7823604

Cc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 6/20 0.59
JAK2 O60674 1/20 0.59
HTT P42858 1/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CXCR2 P25025 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
MAPK1 P28482 1/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 1/20 0.52
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL4548287 0.89 MEN1 (0.61) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL5853268 0.86 CXCR2 (0.74) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL11350134 0.83 MEN1 (0.71) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL4548043 0.83 SMN1; SMN2 (0.74) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL4920563 0.82 MAPT (0.56) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL6799221 0.81 RAB9A (0.73) MAPTRAB9AHTTATMNPSR1
SCHEMBL4124525 0.81 NTRK1 (0.55) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL3092811 0.79 MAPT (0.51) MAPTRAB9AMEN1KMT2ACXCR2
SCHEMBL10069535 0.78 PTPN7 (0.73) MAPTKMT2AALDH1A1CA12CA2
Deaminohydroxyvaline SCHEMBL7825097 0.78 SMN1; SMN2 (0.48) MAPTRAB9AHTTNPSR1MEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed