SCHEMBL10440113

SCHEMBL10440113

COc1ccc(-c2cc(OC(=O)O)c3cc(Br)ccc3n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ DHODH Q02127 3/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ACACA Q13085 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10440115 0.91 KMT2A (0.53) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL9867556 0.84 MEN1 (0.69) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440187 0.84 DHODH (0.68) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL9867341 0.82 DHODH (0.73) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440013 0.77 ADORA3 (0.52) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL27830629 0.75 RXFP1 (0.59) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10866597 0.75 TP53 (0.57) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440155 0.73 DHODH (0.57) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL3937571 0.72 KDM4E (0.64) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440015 0.71 DHODH (0.60) KMT2AMEN1DHODHKDM4ESMN1; SMN2

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-0384313-A1 Quinoline-4-carboxylic acid derivatives and their application BASF Aktiengesellschaft (DE) 1990-08-29 — — EP disclosed
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