SCHEMBL18454366

SCHEMBL18454366

COc1cccc(-n2ncc(C)c(C)c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.59
MCHR1 Q99705 6/20 0.59
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 3/20 0.47
MGLL Q99685 1/20 0.46
CYP17A1 P05093 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
USP7 Q93009 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL13562542 0.86 NPBWR1 (0.63) NPBWR1MCHR1TSHRSMN1; SMN2HTT
SCHEMBL18446182 0.83 NPC1 (0.64) NPBWR1MCHR1TSHRLMNASMN1; SMN2
SCHEMBL11049861 0.79 ALDH1A1 (0.54) NPBWR1LMNASMN1; SMN2HTTCYP1A2
SCHEMBL3028836 0.78 ALDH1A1 (0.63) NPBWR1MCHR1TSHRLMNASMN1; SMN2
SCHEMBL3041881 0.78 NPBWR1 (0.72) NPBWR1MCHR1LMNASMN1; SMN2HTT
SCHEMBL18467391 0.76 SMN1; SMN2 (0.54) NPBWR1TSHRLMNASMN1; SMN2HTT
SCHEMBL30783355 0.76 TSHR (0.55) NPBWR1MCHR1TSHRLMNASMN1; SMN2
SCHEMBL30783278 0.74 SMN1; SMN2 (0.50) NPBWR1MCHR1TSHRLMNASMN1; SMN2
SCHEMBL18467907 0.73 CNR2 (0.48) NPBWR1MCHR1LMNASMN1; SMN2HTT
SCHEMBL6313505 0.71 RAB9A (0.67) LMNASMN1; SMN2NPC1RAB9A

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-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed