SCHEMBL11366121

SCHEMBL11366121

O=C(NN1C=NCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41

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
Benzoic Acid SCHEMBL28434095 0.79 ALDH1A1 (0.41) HTTALOX5TSHR
SCHEMBL10353967 0.73 GAA (0.47) HTTGAASMN1; SMN2NPC1RAB9A
SCHEMBL322046 0.72
SCHEMBL7753131 0.71 MEN1 (0.46) HTTGAACA12CA9HSD17B10
SCHEMBL11794815 0.70 HPGD (0.47) CYP2C19CA12CA1CA9MAPT
SCHEMBL2399935 0.69 HTT (0.96) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL717372 0.69 HTT (0.69) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL3955220 0.69 SMN1; SMN2 (0.71) HTTGAASMN1; SMN2MAPTPOLB
SCHEMBL9282775 0.68 HTT (1.00) HTTCYP2C9GAASMN1; SMN2NPC1
N-Piperidinobenzamide SCHEMBL696161 0.68 HTT (1.00) HTTCYP2C9GAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4221586-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-09-09 US claimed
US-4297126-A SUPPRESSION OF FLOWERS ON TOBACCO PLANTS AMERICAN CYANAMID CO. (US) 1981-10-27 US disclosed
US-4297126-A SUPPRESSION OF FLOWERS ON TOBACCO PLANTS AMERICAN CYANAMID CO. (US) 1981-10-27 US disclosed
US-4297126-A SUPPRESSION OF FLOWERS ON TOBACCO PLANTS AMERICAN CYANAMID CO. (US) 1981-10-27 US disclosed
US-4221586-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-09-09 US disclosed
US-4221586-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-09-09 US disclosed
US-4221586-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-09-09 US disclosed
US-4201565-A Imidazolinyl benzamides as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1980-05-06 US disclosed
US-4201565-A Imidazolinyl benzamides as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1980-05-06 US disclosed
US-4201565-A Imidazolinyl benzamides as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1980-05-06 US disclosed
US-4122275-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1978-10-24 US disclosed
US-4122275-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1978-10-24 US disclosed
US-4122275-A Imidazolinyl benzamides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1978-10-24 US disclosed