SCHEMBL11060772

SCHEMBL11060772

NC(S)=NCCCCCN=C(N)S

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
Bromide SCHEMBL8908476 1.00 DHPS (0.48) DHPSMEN1KMT2ACYP1A2ALOX15
SCHEMBL11057119 0.97 CYP1A2 (0.46) DHPSMEN1KMT2ACYP1A2ALOX15
SCHEMBL11056365 0.90 CYP1A2 (0.39) DHPSMEN1KMT2ACYP1A2ALOX15
Bromide SCHEMBL17799781 0.89 MIF (0.44) DHPSMEN1KMT2ACYP1A2ALOX15
SCHEMBL11038146 0.87 MEN1 (0.67) DHPSMEN1KMT2ACYP1A2
SCHEMBL11039593 0.87 MEN1 (0.67) DHPSMEN1KMT2ACYP1A2
Bromide SCHEMBL11045675 0.87 MEN1 (0.67) DHPSMEN1KMT2ACYP1A2
Bromide SCHEMBL8820343 0.86 CYP1A2 (0.64) DHPSCYP1A2ALOX15NFKB1MAOA
SCHEMBL7130947 0.84
SCHEMBL11060352 0.83 CYP1A2 (0.30) CYP1A2ALOX15NFKB1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4475942-A N-Phosphonomethylglycine derivatives and herbicidal compositions containing them GESHURI LABORATORIES LTD. (IL) 1984-10-09 US disclosed
EP-0103055-A1 N-phosphonomethylglycine derivatives and herbicidal compositions containing them Geshuri Laboratories Ltd. (IL) 1984-03-21 EP disclosed