SCHEMBL6589107

SCHEMBL6589107

Cc1cc(N(C(N)=O)c2ccc(C)c(C)c2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
NCF1 P14598 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
GUSB P08236 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL6593276 0.89 CYP1A2 (0.41) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL6592538 0.88 NCF1 (0.47) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL6185025 0.87 NCF1 (0.51) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL7381173 0.85 GRM2 (0.44) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL9190817 0.84 ALDH1A1 (0.43) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL9190932 0.83 IGF1R (0.51) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL6589199 0.81 HTT (0.47) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL7378778 0.81 KDM1A (0.41) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL9391328 0.81 NCF1 (0.40) CYP1A2NCF1SMN1; SMN2MEN1KMT2A
SCHEMBL9191404 0.80 BRAF (0.46) NCF1SMN1; SMN2MEN1KMT2AHTT

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 disclosed