SCHEMBL20157016

SCHEMBL20157016

C=C(c1cc(CN2CCN(/C(C)=C/C)CC2)c(C)cc1C)N1CCN(/C(N)=N/CC)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.30
POLB P06746 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL20157315 0.82 CYP1A2 (0.32) PLA2G1BPOLBATG4B
SCHEMBL20157032 0.82 CYP1A2 (0.30) PLA2G1BPOLBATG4B
SCHEMBL20157357 0.82 CYP1A2 (0.30) PLA2G1BPOLBATG4B
SCHEMBL20157524 0.81
SCHEMBL20156884 0.80 CYP1A2 (0.34) PLA2G1BPOLBATG4B
SCHEMBL20157030 0.79 CYP1A2 (0.31) PLA2G1BPOLBATG4B
SCHEMBL20157352 0.77 GRIN2B (0.30)
SCHEMBL20157310 0.77 SMN1; SMN2 (0.32) PLA2G1BPOLBATG4B
SCHEMBL20157544 0.76 CYP1A2 (0.31) PLA2G1BPOLBATG4B
SCHEMBL20157072 0.76 CYP1A2 (0.31) PLA2G1BPOLBATG4B

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed