SCHEMBL4664677

SCHEMBL4664677

Cc1ccccc1-c1cc(N)n(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPY5R Q15761 1/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP1A2 P05177 2/20 0.41
CYP17A1 P05093 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
STAT1 P42224 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TGFBR1 P36897 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4664678 0.80 RAB9A (0.65) MAPTNPY5RALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6344569 0.79 RAB9A (0.54) MAPTNPY5RALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6343068 0.79 CYP1A2 (0.59) MAPTALDH1A1CYP1A2SMN1; SMN2RAB9A
SCHEMBL13974491 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2SMN1; SMN2RAB9A
SCHEMBL29406288 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2SMN1; SMN2RAB9A
SCHEMBL27926117 0.74 SMN1; SMN2 (0.55) MAPTNPY5RALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6345119 0.74 NPY5R (0.73) MAPTNPY5RALDH1A1SMN1; SMN2RAB9A
SCHEMBL6452314 0.72 ALDH1A1 (0.47) MAPTALDH1A1CYP1A2CYP17A1SMN1; SMN2
SCHEMBL27084518 0.72 MAPT (0.47) MAPTNPY5RALDH1A1SMN1; SMN2RAB9A
SCHEMBL1013458 0.72 MAPT (0.47) MAPTNPY5RALDH1A1SMN1; SMN2RAB9A

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-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed