SCHEMBL12812331

SCHEMBL12812331

CNC(=O)NC1CCCCCCCCCCCCCC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.73
EPHX2 P34913 4/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
CYP3A4 P08684 1/20 0.73
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.53

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
SCHEMBL8394304 1.00 EPHX1 (0.73) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL19940662 1.00 EPHX1 (0.73) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL966981 1.00 EPHX1 (0.73) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL27440890 1.00 EPHX1 (0.73) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL967798 0.98 EPHX1 (0.68) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL968501 0.93
SCHEMBL18557132 0.89 EPHX1 (0.64) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL20938571 0.89 EPHX1 (0.64) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL965099 0.87
SCHEMBL10155582 0.87 EPHX2 (0.56) EPHX1EPHX2NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed