SCHEMBL9792181

SCHEMBL9792181

Cc1ccc(-c2nc3ccc(Cl)nc3n2Cc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 1/20 0.42
TP53 P04637 1/20 0.41
BRD4 O60885 3/20 0.41
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SYK P43405 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL9792183 0.92 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9792175 0.88 GRIN1 (0.47) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL9792190 0.85 BRD4 (0.52) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL9792178 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ATP53BRD4KDM4E
SCHEMBL9792182 0.79 BRD4 (0.51) BRD4
SCHEMBL9792170 0.78 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATP53BRD4
SCHEMBL9693718 0.73 HSD17B10 (0.47) MEN1ALDH1A1KMT2AKDM4E
SCHEMBL9693741 0.70 PLK1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL9694163 0.70 NPC1 (0.43) LMNA
SCHEMBL9792194 0.69 ALDH1A1 (0.39) ALDH1A1

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
US-5066654-A 2-aryl-3-heterocyclicmethyl-3H-imidazo[4,5-b]pyridines as anxiolytics and anticonvulsants A. H. ROBINS COMPANY, INCORPORATED (US) 1991-11-19 US claimed
US-5066654-A 2-aryl-3-heterocyclicmethyl-3H-imidazo[4,5-b]pyridines as anxiolytics and anticonvulsants A. H. ROBINS COMPANY, INCORPORATED (US) 1991-11-19 US disclosed