SCHEMBL5762802

SCHEMBL5762802

CCc1cc2c(Cl)nc(SC)nc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SRC P12931 5/20 0.39
FYN P06241 3/20 0.39
FLT3 P36888 2/20 0.39
ABL1 P00519 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL5764442 0.91 HPGD (0.44) ALDH1A1HSD17B10TSHRNPSR1POLB
SCHEMBL5764324 0.89 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRNPSR1POLB
SCHEMBL5764441 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRNPSR1MAPT
SCHEMBL5764583 0.85 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRNPSR1POLB
SCHEMBL5764846 0.84 GPR4 (0.44) ALDH1A1TSHRNPSR1MAPTHPGD
SCHEMBL5764508 0.77 PPARG (0.40) ALDH1A1HSD17B10TSHRNPSR1POLB
SCHEMBL5763739 0.76 MEN1 (0.52) ALDH1A1HSD17B10TSHRNPSR1POLB
SCHEMBL5765021 0.71 GAA (0.38) ALDH1A1HSD17B10NPSR1POLBMAPT
SCHEMBL31511378 0.68 DCTPP1 (0.41) ALDH1A1MAPTSRCABL1MEN1
SCHEMBL5475245 0.66 L3MBTL1 (0.51) ALDH1A1HSD17B10POLBMAPTHPGD

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