SCHEMBL9872899

SCHEMBL9872899

S=C1CN(c2ccccc2)C=N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4679699 0.78 MEN1 (0.41) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL9862074 0.75 NPC1 (0.55) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL29417850 0.72 NPC1 (0.96) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL30421152 0.63 NPC1 (0.42) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL9528239 0.63 NPC1 (0.42) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL6272216 0.61 SIGMAR1 (0.41) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL8756913 0.61 HPGD (0.40) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL16361136 0.61 HPGD (0.40) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL105023 0.61 SIGMAR1 (0.41) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL3861449 0.60 MAPT (0.41) SMN1; SMN2HPGDNPC1RAB9AKDM4E

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
US-5073186-A 5-THIOXO-2-IMIDAZOLINYL BENZOIC ACIDS, ESTERS, SALTS & RELATED COMPOUNDS, AND USE THEREOF AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1991-12-17 US disclosed
US-4911747-A Applying to (mono- or di-)cotyledonous plant, or soil AMERICAN CYANAMID CO. (US) 1990-03-27 US disclosed
EP-0135711-B1 5-THIOXO-2-IMIDAZOLINYL BENZOIC ACIDS, ESTERS, SALTS AND RELATED COMPOUNDS, AND USE THEREOF AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1989-08-09 EP disclosed
EP-0135711-A1 5-thioxo-2-imidazolinyl benzoic acids, esters, salts and related compounds, and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-04-03 EP disclosed