SCHEMBL11271682

SCHEMBL11271682

Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SCN9A Q15858 2/20 0.40

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
SCHEMBL7899959 0.82 HTT (0.61) HTTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL11304859 0.80 LMNA (0.52) HTTALDH1A1HPGDNPSR1SCN9A
Hydrochloric Acid SCHEMBL10946104 0.79 LMNA (0.51) HTTALDH1A1HPGDNPSR1SCN9A
SCHEMBL10946082 0.79 LMNA (0.53) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL11306337 0.79 HTT (0.45) HTTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL30909351 0.79 HTT (0.61) HTTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL6238201 0.79 HTT (0.61) HTTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL11089385 0.78 ALDH1A1 (0.43) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10882340 0.78 MAPT (0.50) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30534581 0.76 HTT (0.74) HTTMEN1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56166175-A — — None — — JP disclosed
EP-0046468-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 — — EP disclosed
JP-S56166175-A HYDROQUINONE DERIVATIVE AND ITS PREPARATION NISSAN CHEM IND LTD 1981-12-21 — — JP disclosed
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