SCHEMBL6201345

SCHEMBL6201345

COC(C)C(=O)Nc1ccc(-c2n[nH]cc2-c2nc3ncccc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 12/20 0.50
TP53 P04637 6/20 0.50
POLB P06746 5/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ADRB2 P07550 2/20 0.49
USP2 O75604 2/20 0.46
TSHR P16473 1/20 0.46
PTK2B Q14289 1/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.45
PPARG P37231 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
SCHEMBL6204336 0.85 RAB9A (0.55) RAB9ANPC1MAPTTP53POLB
SCHEMBL6085124 0.79 CASP3 (0.61) RAB9ANPC1MAPTPOLBKDM4E
SCHEMBL6204331 0.79 RAB9A (0.59) RAB9ANPC1MAPTTP53POLB
SCHEMBL6198138 0.79 MAPT (0.56) RAB9ANPC1MAPTTP53POLB
SCHEMBL6084882 0.78 KDM4E (0.59) RAB9ANPC1MAPTTP53POLB
SCHEMBL6205323 0.78 RAB9A (0.53) RAB9ANPC1MAPTTP53POLB
SCHEMBL6203401 0.77 MAPT (0.54) MAPTTP53POLBRXFP1KDM4E
SCHEMBL6201851 0.77 RAB9A (0.54) RAB9ANPC1MAPTTP53POLB
SCHEMBL13779246 0.76 RAB9A (1.00) RAB9ANPC1MAPTTP53POLB
SCHEMBL6203549 0.74 SMN1; SMN2 (0.52) RAB9ANPC1MAPTTP53POLB

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed