SCHEMBL6590889

SCHEMBL6590889

Cc1cc(NC(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
IGF1R P08069 3/20 0.64
HTT P42858 2/20 0.57
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
S1PR1 P21453 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.55
CA1 P00915 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GALR3 O60755 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
MAPT P10636 2/20 0.53
GUSB P08236 1/20 0.53

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
SCHEMBL6586520 0.88 IGF1R (0.79) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6585168 0.87 MAPT (0.61) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6592577 0.86 IGF1R (0.65) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL4855474 0.85 HTT (0.75) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL7690789 0.85 IGF1R (0.67) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6591375 0.83 S1PR1 (0.63) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6592545 0.83 IGF1R (0.79) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6587428 0.82 IGF1R (0.70) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6586314 0.82 BRAF (0.70) NPC1RAB9AMEN1KMT2AIGF1R
SCHEMBL6588598 0.82 IGF1R (0.77) NPC1RAB9AMEN1KMT2AIGF1R

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-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP claimed