SCHEMBL9553582

SCHEMBL9553582

O=C(NNc1ccccc1)Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.58
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
TSHR P16473 1/20 0.53
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 8/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
RAD51 Q06609 1/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 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
SCHEMBL28109363 0.88 LMNA (0.49) GAACYP3A4ALOX5TSHRALDH1A1
SCHEMBL1504425 0.88 PTGS2 (0.58) GAACYP3A4PTGS2ALDH1A1MAPT
SCHEMBL27802288 0.88 FAAH (0.51) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL14153913 0.87 GAA (0.50) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL14108086 0.86 PTGS2 (0.65) GAACYP3A4PTGS2ALDH1A1MAPT
SCHEMBL14273152 0.84 NOTUM (0.49) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL14108137 0.84 ALDH1A1 (0.49) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL7154018 0.84 MGLL (0.46) GAAALDH1A1MAPTRAD51KDM4E
SCHEMBL28849976 0.83 BCAT2 (0.46) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL14108129 0.82 EPHX2 (0.51) GAAALDH1A1MAPTCYP1A2KDM4E

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-5236939-A Substituted 1,3,4-oxa(thia)diazolinones process for their preparation and their use of combating endoparasites BAYER AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed