SCHEMBL9634874

SCHEMBL9634874

COC(=O)CSc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
KDM4E B2RXH2 10/20 0.51
HPGD P15428 9/20 0.51
MAPT P10636 7/20 0.51
POLB P06746 4/20 0.51
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 6/20 0.49
ADRB2 P07550 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
HPSE Q9Y251 1/20 0.46
PKM P14618 2/20 0.44
NFKB1 P19838 1/20 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
SCHEMBL9636251 0.89 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9634630 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9634498 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9635654 0.83 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9634385 0.81 HDAC3 (0.54) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9635741 0.80 AURKA (0.47) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9636078 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL8858744 0.78 KDM4E (0.70) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL9634693 0.78 AURKA (0.45) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9635679 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTPOLB

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