SCHEMBL9380784

SCHEMBL9380784

CC1(C)CC(=O)Nc2cc3nc(-c4cccs4)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 4/20 0.46
KLK7 P49862 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HDAC3 O15379 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
SCHEMBL9703439 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378253 0.81 PDE4A (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9702847 0.81 PDE4A (0.42) RAB9ATP53MAPTNPC1PDE4A
SCHEMBL9379359 0.81 PDE3B (0.69) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL10530409 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9378993 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703486 0.79 PDE4A (0.43) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL10566333 0.78 PDE4A (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9378391 0.78 PDE4A (0.53) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9385715 0.78 CBFB (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed