SCHEMBL6587428

SCHEMBL6587428

Cc1cc(NC(=O)Nc2ccc(C)c(C)c2)c2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.70
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 2/20 0.60
STING1 Q86WV6 1/20 0.57
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GALR3 O60755 1/20 0.56
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
GBA1 P04062 1/20 0.55
TP53 P04637 1/20 0.55
S1PR1 P21453 1/20 0.55
OPRD1 P41143 1/20 0.55
GUSB P08236 1/20 0.55
OPRK1 P41145 1/20 0.54
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 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
SCHEMBL6588400 0.89 IGF1R (0.66) IGF1RMEN1KMT2AHTTSTING1
SCHEMBL6586520 0.88 IGF1R (0.79) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL4855474 0.88 HTT (0.75) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL6588598 0.87 IGF1R (0.77) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL6588862 0.85 IGF1R (0.77) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL6587028 0.84 IGF1R (0.70) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL6586139 0.84 HTT (0.66) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL6592577 0.84 IGF1R (0.65) IGF1RMEN1KMT2AHTTRAB9A
SCHEMBL7694541 0.82 IGF1R (0.71) IGF1RMEN1KMT2AHTTSTING1
SCHEMBL6586190 0.82 IGF1R (1.00) IGF1RMEN1KMT2AHTTRAB9A

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 8 patents. 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
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US claimed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP claimed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO claimed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed