SCHEMBL9636078

SCHEMBL9636078

COC(=O)CSc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KDM4E B2RXH2 10/20 0.61
HPGD P15428 6/20 0.61
USP2 O75604 3/20 0.61
GAA P10253 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
PDE5A O76074 2/20 0.45
HSD17B10 Q99714 5/20 0.44
ALOX15 P16050 3/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL9635651 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9634681 0.86 KMT2A (0.46) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9635775 0.81 KDM4E (0.53) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9634874 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9635663 0.79 PDE5A (0.46) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9634585 0.79 PDE5A (0.61) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9635654 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9636034 0.79 PDE5A (0.54) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL9634630 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL7270979 0.77 ALOX5 (0.51) ALDH1A1KDM4EHPGDGAANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed