SCHEMBL6235218

SCHEMBL6235218

NCCNCCOCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.64
IDO1 P14902 3/20 0.50
PNMT P11086 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT1 Q99873 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9618230 0.84 CYP1A2 (0.53) SIGMAR1IDO1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL27940425 0.83 IDO1 (0.56) SIGMAR1IDO1PNMTTAAR1NPC1
SCHEMBL6237103 0.82 IDO1 (0.46) SIGMAR1IDO1TAAR1ALDH1A1
SCHEMBL6240433 0.80 CYP3A4 (0.51) IDO1PNMTTAAR1
SCHEMBL6235212 0.80 IDO1 (0.45) SIGMAR1IDO1TAAR1SMN1; SMN2NPC1
SCHEMBL10458219 0.76 IDO1 (0.55) SIGMAR1IDO1PNMTTAAR1NPC1
SCHEMBL7263108 0.76 SIGMAR1 (0.71) SIGMAR1IDO1PNMTTAAR1CYP2D6
SCHEMBL6237709 0.76 DRD2 (0.47) TAAR1NPC1RAB9ACARM1CYP1A2
SCHEMBL30873130 0.75 IDO1 (0.68) SIGMAR1IDO1PNMTTAAR1SMN1; SMN2
SCHEMBL865549 0.75 IDO1 (0.68) SIGMAR1IDO1PNMTTAAR1SMN1; 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
WO-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed