SCHEMBL4694453

SCHEMBL4694453

CCCCCc1cc(C)nnc1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
SOAT1 P35610 2/20 0.37
ATM Q13315 1/20 0.34
RAB9A P51151 3/20 0.33
ALOX5 P09917 2/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3966666 0.90 L3MBTL1 (0.36) SOAT1ATMRAB9ANPC1HTT
SCHEMBL3967355 0.86 L3MBTL1 (0.39) ATMRAB9ANPC1HTTSMN1; SMN2
SCHEMBL4691170 0.83 AR (0.40) S1PR1SOAT1ALOX5SMN1; SMN2MEN1
SCHEMBL4693224 0.83 S1PR1 (0.43) S1PR1SOAT1ALOX5L3MBTL1CYP2C9
SCHEMBL4689750 0.79 SMN1; SMN2 (0.45) ATMRAB9ANPC1HTTSMN1; SMN2
SCHEMBL3965245 0.75 HTT (0.42) ATMRAB9ANPC1HTTSMN1; SMN2
SCHEMBL3926799 0.72 ATM (0.37) ATMRAB9ANPC1HTTSMN1; SMN2
SCHEMBL8325829 0.72 CNR2 (0.47) SOAT1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3964910 0.68 ADORA1 (0.43) RAB9ANPC1HTTSMN1; SMN2L3MBTL1
SCHEMBL21120072 0.67 GLS (0.50)

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed