SCHEMBL10675894

SCHEMBL10675894

c1ccc(Oc2ccc3ccccc3n2)c(OOOc2ccccc2Oc2ccc3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NCF1 P14598 3/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL31498821 0.80 NCF1 (0.50) MEN1KMT2AMAPTALDH1A1NCF1
SCHEMBL1131286 0.80 NCF1 (0.50) MEN1KMT2AMAPTALDH1A1NCF1
SCHEMBL28691331 0.79 MEN1 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10649068 0.79 HTT (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10767713 0.79 ECE2 (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10511286 0.79 HTT (0.63) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL1602780 0.79 HTR1B (0.44) MEN1KMT2AMAPTHTTALDH1A1
Phosphine SCHEMBL23753735 0.78 MAPT (0.49) MEN1KMT2AMAPTALDH1A1NCF1
SCHEMBL21484221 0.78 MEN1 (0.41) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL20550751 0.75 MEN1 (0.41) MEN1KMT2AMAPTHTTALDH1A1

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
EP-0270378-A2 Herbicidal aryloxybenzeneacetic acid derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-08 — — EP disclosed
EP-0206772-A2 Herbicidal aryloxybenzeneacetic acid derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-30 — — EP disclosed
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