SCHEMBL14495877

SCHEMBL14495877

NCC(CO)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 2/20 0.43
THRB P10828 1/20 0.43
ACP3 P15309 3/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4441100 0.88 IDO1 (0.50) SIGMAR1IDO1THRBACP3POLB
SCHEMBL170305 0.82 SIGMAR1 (0.55) SIGMAR1IDO1CYP3A4MAPT
SCHEMBL21835602 0.82 SIGMAR1 (0.55) SIGMAR1IDO1CYP3A4MAPT
SCHEMBL10797644 0.82 SIGMAR1 (0.55) SIGMAR1IDO1CYP3A4MAPT
SCHEMBL7041284 0.82 SIGMAR1 (0.55) SIGMAR1IDO1THRBACP3POLB
SCHEMBL23023068 0.82 SIGMAR1 (0.55) SIGMAR1IDO1THRBACP3POLB
SCHEMBL1823141 0.82 SIGMAR1 (0.55) SIGMAR1IDO1THRBACP3POLB
SCHEMBL27779884 0.81 SIGMAR1 (0.47) SIGMAR1IDO1CYP3A4MAPTCYP1A2
SCHEMBL16403517 0.81 SIGMAR1 (0.44) SIGMAR1IDO1THRBACP3POLB
SCHEMBL1318063 0.81 ALDH1A1 (0.52) SIGMAR1IDO1THRBACP3POLB

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-2007070506-A2 DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-06-21 WO disclosed