SCHEMBL9634624

SCHEMBL9634624

C#CCOc1cc(OCC)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 7/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TOP1 P11387 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
SCHEMBL9634582 0.96 PDE5A (0.40) CBFBNPC1HPGDRAB9AKDM4E
SCHEMBL9634591 0.94 TOP1 (0.40) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL9634736 0.91 PDE2A (0.47) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL7279872 0.90 CBFB (0.46) CBFBNPC1HPGDRAB9AKDM4E
SCHEMBL9636094 0.90 CBFB (0.41) CBFBNPC1HPGDRAB9AKDM4E
SCHEMBL9634126 0.89 TOP1 (0.37) KDM4EALDH1A1TP53PDE5APDE3B
SCHEMBL9635731 0.89 TOP1 (0.37) KDM4EALDH1A1TP53PDE5APDE3B
SCHEMBL9634540 0.88 PDE5A (0.47) HPGDKDM4EALDH1A1LMNAHSD17B10
SCHEMBL9634577 0.88 PDE3B (0.43) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL9636307 0.88 PDE5A (0.39) HPGDKDM4EALDH1A1PDE5APDE3B

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