SCHEMBL13286178

SCHEMBL13286178

COCc1cc(C)ccc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 5/20 0.51
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3B P49841 2/20 0.37
CDK2 P24941 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL791535 0.82 SMN1; SMN2 (0.41) CYP46A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL13285986 0.80 KDM4E (0.34) CYP46A1CYP11B1CYP11B2RAB9AMAPT
SCHEMBL12936660 0.77 CDK2 (0.50) CYP11B1CYP11B2NPC1RAB9AGSK3B
SCHEMBL792166 0.74 CYP11B1 (0.54) CYP46A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL25871395 0.74 CYP46A1 (0.54) CYP46A1CYP11B2MEN1KMT2ANPC1
SCHEMBL3422005 0.74 CYP46A1 (0.54) CYP46A1CYP11B2MEN1KMT2ANPC1
SCHEMBL22241332 0.74 CYP46A1 (0.55) CYP46A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL792013 0.73 FFAR1 (0.53) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13393498 0.72 NPC1 (0.60) CYP46A1MEN1KMT2ANPC1RAB9A
SCHEMBL8256542 0.72 KDM4E (0.41) MEN1KMT2AMAPTALDH1A1KDM4E

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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed