SCHEMBL5741580

SCHEMBL5741580

COc1ccccc1-c1cc(Nc2ccc3nc(-c4ccc(C(F)(F)F)cc4)cc(N)c3c2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.48
MCHR1 Q99705 2/20 0.47
AGPAT2 O15120 5/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
ROCK2 O75116 2/20 0.41
DHODH Q02127 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 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
SCHEMBL5741949 0.92 TP53 (0.49) ACP1MCHR1AGPAT2TP53MAPT
SCHEMBL5740482 0.91 ALOX15 (0.48) ACP1AGPAT2TP53MAPTALOX15
SCHEMBL5741860 0.91 MAPT (0.52) AGPAT2TP53MAPTALOX15HSD17B10
SCHEMBL5742562 0.89 MAPT (0.53) ACP1AGPAT2TP53MAPTALOX15
SCHEMBL5740342 0.89 AGPAT2 (0.59) ACP1AGPAT2TP53MAPTALOX15
SCHEMBL5741794 0.88 MCHR1 (0.50) ACP1MCHR1AGPAT2TP53MAPT
SCHEMBL5741808 0.88 MCHR1 (0.50) ACP1MCHR1AGPAT2TP53MAPT
SCHEMBL5741057 0.87 ACP1 (0.57) ACP1MCHR1AGPAT2TP53MAPT
SCHEMBL5740529 0.87 MCHR1 (0.53) ACP1MCHR1AGPAT2ROCK2
SCHEMBL5740563 0.87 AGPAT2 (0.52) ACP1MCHR1AGPAT2HSP90AA1HSP90AB1

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-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed