SCHEMBL10698273

SCHEMBL10698273

COCCN1C(=O)C(C)(C)c2cc3nc(-c4cccnc4)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
STAT1 P42224 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HTT P42858 1/20 0.42
CYP11B1 P15538 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
KIT P10721 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL10695470 0.90 MAPT (0.49) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10697571 0.89 MAPT (0.48) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10698025 0.89 PDE4A (0.51) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10696474 0.88 MAPT (0.47) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10700213 0.88 AURKA (0.56) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10695484 0.87 MAPT (0.47) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10691668 0.84 MAPT (0.54) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10696409 0.84 HPGD (0.50) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10700270 0.84 AURKA (0.47) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL10698967 0.84 AURKB (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed