SCHEMBL7996438

SCHEMBL7996438

COC(=O)/C=C(\C)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
MAOA P21397 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CA1 P00915 2/20 0.38

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
SCHEMBL7996442 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNACYP1A2CYP3A4MAPT
SCHEMBL9335464 0.83 CA1 (0.53) SMN1; SMN2LMNACYP1A2MAPTMEN1
SCHEMBL13864069 0.83 TDP1 (0.53) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL11167051 0.82 LOXL2 (0.44) SMN1; SMN2LMNACYP1A2CYP3A4TDP1
SCHEMBL11167053 0.82 LOXL2 (0.44) SMN1; SMN2LMNACYP1A2CYP3A4TDP1
SCHEMBL10277127 0.81 PTGS1 (0.46) SMN1; SMN2LMNACYP1A2MAPTNPC1
SCHEMBL10277125 0.81 PTGS1 (0.46) SMN1; SMN2LMNACYP1A2MAPTNPC1
SCHEMBL22390293 0.81 ALDH1A1 (0.47) SMN1; SMN2LMNACYP1A2MAPTMAOA
SCHEMBL22390294 0.81 ALDH1A1 (0.47) SMN1; SMN2LMNACYP1A2MAPTMAOA
SCHEMBL10277124 0.81 PTGS1 (0.46) SMN1; SMN2LMNACYP1A2MAPTNPC1

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-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed