SCHEMBL2569997

SCHEMBL2569997

Cc1ccc(NC(=O)Nc2cn(C)c(OC(=O)O)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
FPR2 P25090 4/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GBA1 P04062 1/20 0.41
STING1 Q86WV6 1/20 0.41
KIT P10721 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL2562045 0.87 NPC1 (0.49) MAPTLMNATP53NPC1RAB9A
SCHEMBL2569996 0.83 MAPT (0.50) MAPTLMNATP53NPC1RAB9A
SCHEMBL2881471 0.81 NPC1 (0.53) MAPTLMNATP53NPC1RAB9A
SCHEMBL2570394 0.80 EPHX2 (0.58) NPC1RAB9AALDH1A1
SCHEMBL4057959 0.80 EPHX2 (0.51) MAPTNPC1RAB9AFPR2KMT2A
SCHEMBL4069869 0.78 MAPT (0.44) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL4118553 0.74 NPC1 (0.69) MAPTLMNATP53NPC1RAB9A
SCHEMBL4122903 0.71 NPC1 (0.71) MAPTLMNATP53NPC1RAB9A
SCHEMBL4105335 0.70 NPC1 (0.64) MAPTLMNANPC1RAB9AFPR2
SCHEMBL12288361 0.70 RAB9A (0.77) MAPTLMNANPC1RAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed