SCHEMBL10440115

SCHEMBL10440115

COC(=O)Oc1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ DHODH Q02127 3/20 0.53
▸ KDM4E B2RXH2 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ACACA Q13085 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL10440113 0.91 KMT2A (0.53) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL9867341 0.83 DHODH (0.73) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL9867556 0.82 MEN1 (0.69) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440031 0.76 DHODH (0.57) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440187 0.75 DHODH (0.68) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440015 0.74 DHODH (0.60) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL26667049 0.74 HPGD (0.48) KMT2AMEN1KDM4ESMN1; SMN2HSD17B10
SCHEMBL27830629 0.73 RXFP1 (0.59) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL10440013 0.73 ADORA3 (0.52) KMT2AMEN1DHODHKDM4ESMN1; SMN2
SCHEMBL3937571 0.71 KDM4E (0.64) 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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