SCHEMBL11116537

SCHEMBL11116537

O=C(O)/C(Cc1ccccn1)=N\O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 8/20 0.58
CYP1A2 P05177 1/20 0.55
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
PTPRA P18433 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11116539 1.00 CTBP2 (0.58) CTBP2CYP1A2GAAKDM4ETDP1
SCHEMBL20543701 0.79 GAA (0.46) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL20543700 0.79 GAA (0.46) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL3881248 0.78 PTPRA (0.53) CYP1A2GAAKDM4EALDH1A1RAB9A
SCHEMBL11765187 0.77 SMN1; SMN2 (0.49) GAAKDM4ETDP1RAB9ANPC1
Benzene SCHEMBL11747977 0.77 PTPRA (0.56) CYP1A2GAAKDM4EALDH1A1RAB9A
SCHEMBL21298 0.77 PTPRA (0.56) CYP1A2GAAKDM4EALDH1A1RAB9A
SCHEMBL29676689 0.77 PTPRA (0.56) CYP1A2GAAKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5304444 0.77 RAB9A (0.51) CYP1A2GAAKDM4EALDH1A1RAB9A
Water SCHEMBL5531145 0.76 PTPRA (0.55) CYP1A2GAAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114960-A2 Foliar fertilizers which increase yield of field crop plants which fertilizers contain substituted thiourea, substituted urea ALLIED CORPORATION (US) 1984-08-08 EP disclosed