SCHEMBL7996474

SCHEMBL7996474

CC(=O)Nc1ccc(C=NN)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
CA12 O43570 3/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
MB P02144 1/20 0.52

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
SCHEMBL11746811 0.85 NOX1 (0.63) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5776498 0.83 NOX1 (0.61) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5776502 0.83 NOX1 (0.61) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL203520 0.80 NOX1 (0.67) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL203519 0.80 NOX1 (0.67) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1436170 0.80 ALDH1A1 (0.56) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6076761 0.79 RAB9A (0.59) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6076757 0.79 RAB9A (0.59) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5950783 0.79 SMN1; SMN2 (0.59) NOX1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20878229 0.79 SMN1; SMN2 (0.59) NOX1SMN1; SMN2RAB9ANPC1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112981436-B Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation 昆明学院 2022-02-01 CN disclosed
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