SCHEMBL5764583

SCHEMBL5764583

CCc1cc2c(Cl)nc(SC)nc2n1Cc1ccccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ADAMTS5 Q9UNA0 2/20 0.33
ADAMTS4 O75173 1/20 0.33
NPBWR1 P48145 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
HTR7 P34969 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SRC P12931 4/20 0.33
ABL1 P00519 3/20 0.33
PLA2G2A P14555 1/20 0.33
FYN P06241 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL5762802 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRNPSR1MAPT
SCHEMBL5764971 0.79 PLA2G1B (0.40) ALDH1A1MAPTPOLBPLA2G2A
SCHEMBL5764442 0.77 HPGD (0.44) ALDH1A1HSD17B10KDM4ETSHRNPSR1
SCHEMBL5764324 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4ETSHRNPSR1
SCHEMBL5764441 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4ETSHRNPSR1
SCHEMBL5764846 0.70 GPR4 (0.44) ALDH1A1KDM4ETSHRNPSR1MAPT
SCHEMBL2156481 0.67 PLA2G2A (0.42) ALDH1A1HSD17B10KDM4ETSHRMAPT
SCHEMBL2156559 0.65 MTNR1B (0.49) KDM4ETSHRNPSR1HTR7PLA2G2A
SCHEMBL5764508 0.65 PPARG (0.40) ALDH1A1HSD17B10KDM4ETSHRNPSR1
SCHEMBL3196495 0.65 PLA2G2A (0.40) HSD17B10MAPTPLA2G2ALMNA

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-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed