SCHEMBL9364845

SCHEMBL9364845

CNS(=O)(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.64
DPP4 P27487 1/20 0.62
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 5/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
PTGES2 Q9H7Z7 2/20 0.52
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BRD1 O95696 2/20 0.51
BRPF1 P55201 2/20 0.51
TRIM24 O15164 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL10154039 0.96 PNMT (0.64) PNMTDPP4TDP1KDM4EALDH1A1
SCHEMBL10672865 0.81 DPP4 (0.57) DPP4TDP1KDM4EALDH1A1CA12
SCHEMBL26016314 0.80 PNMT (0.55) PNMTDPP4ALDH1A1LMNASMN1; SMN2
SCHEMBL3984892 0.80 PNMT (0.57) PNMTDPP4TDP1KDM4EALDH1A1
SCHEMBL10694031 0.79 GFER (0.61) PNMTDPP4TDP1KDM4EALDH1A1
SCHEMBL11948273 0.79 PNMT (0.61) PNMTDPP4TDP1KDM4EALDH1A1
SCHEMBL25413474 0.78 PNMT (0.88) PNMTHTR2CHTR2B
SCHEMBL19002210 0.78 HTR2C (0.76) PNMTDPP4TDP1KDM4EALDH1A1
SCHEMBL1076217 0.78 PNMT (1.00) PNMTHTR2CHTR2B
Hydrochloric Acid SCHEMBL5682410 0.77 PNMT (0.97) PNMTHTR2CHTR2B

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
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 EP disclosed