SCHEMBL6237097

SCHEMBL6237097

NC(=O)CNCCOCc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
RAB9A P51151 2/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
AKT2 P31751 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL6237705 0.85 RAB9A (0.45) CA1CA2CA9CYP2C19AGXT
SCHEMBL6239312 0.84 SMN1; SMN2 (0.52) LMNACYP2C9CYP2C19RAB9ASPHK2
SCHEMBL6235212 0.84 IDO1 (0.45) IDO1RAB9ANPC1
SCHEMBL6240427 0.83 CYP3A4 (0.46) IDO1AGXTSPHK2SPHK1
SCHEMBL8802965 0.79 CYP2C9 (0.49) LMNACA1CA2CA9CYP2C9
SCHEMBL4452224 0.79 IDO1 (0.54) LMNACA1CA2CA9CYP2C9
SCHEMBL5003976 0.78 TAAR1 (0.56) NPC1
SCHEMBL6237103 0.78 IDO1 (0.46) LMNAIDO1AGXTPRKACAPRKACG
Trifluoroacetic Acid SCHEMBL7760506 0.77 SMN1; SMN2 (0.46) LMNASPHK2SPHK1
Hydrochloric Acid SCHEMBL5004496 0.77 TAAR1 (0.55) NPC1

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 3 patents. 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 claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
WO-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed