SCHEMBL5740482

SCHEMBL5740482

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
AGPAT2 O15120 5/20 0.48
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACP1 P24666 1/20 0.46
HSP90AA1 P07900 2/20 0.44

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
SCHEMBL5741860 0.94 MAPT (0.52) ALOX15HSD17B10USP2LMNACYP1A2
SCHEMBL5742562 0.93 MAPT (0.53) ALOX15HSD17B10LMNAALDH1A1AGPAT2
SCHEMBL5741832 0.92 AGPAT2 (0.46) ALOX15HSD17B10USP2LMNACYP1A2
SCHEMBL5740342 0.92 AGPAT2 (0.59) ALOX15HSD17B10AGPAT2TP53MAPT
SCHEMBL5741580 0.91 ACP1 (0.48) ALOX15HSD17B10USP2LMNACYP1A2
SCHEMBL5744514 0.89 AGPAT2 (0.47) LMNAAGPAT2TP53MAPTACP1
SCHEMBL5740176 0.88 AGPAT2 (0.56) ALOX15HSD17B10LMNAAGPAT2TP53
SCHEMBL5743457 0.88 ACP1 (0.54) ALOX15HSD17B10AGPAT2TP53MAPT
SCHEMBL5741921 0.87 AGPAT2 (0.51) LMNAAGPAT2TP53MAPTACP1
SCHEMBL5743121 0.86 AGPAT2 (0.55) ALOX15HSD17B10AGPAT2TP53MAPT

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