SCHEMBL9564757

SCHEMBL9564757

O=C(O)c1ccc2c(c1-n1nnc3ccccc31)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KCNMA1 Q12791 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGAM O43451 3/20 0.35
AMY1A P0DUB6 3/20 0.35
GAA P10253 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
F2 P00734 1/20 0.35
HPGD P15428 1/20 0.35
SLC9A1 P19634 1/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 3/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
TDP2 O95551 1/20 0.35
MAPT P10636 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL2395074 0.75 KCNMA1 (0.49) KMT2AKCNMA1MEN1ALDH1A1MGAM
SCHEMBL9040225 0.70 CNR1 (0.42) ALDH1A1TSHRCNR1SRD5A1SRD5A2
SCHEMBL4466643 0.70 CNR1 (0.44) ALDH1A1CNR1SRD5A1SRD5A2
SCHEMBL4860502 0.68 ALOX5 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2CNR1
SCHEMBL19092972 0.67 KCNMA1 (0.61) KMT2AKCNMA1ALDH1A1MGAMAMY1A
SCHEMBL4460156 0.66 HDAC3 (0.54) KMT2AALDH1A1MGAMAMY1AGAA
SCHEMBL5964502 0.65 POLB (0.45) KMT2AMEN1ALDH1A1MGAMAMY1A
SCHEMBL10061817 0.63 SMN1; SMN2 (0.58) KMT2AKCNMA1MEN1ALDH1A1GAA
SCHEMBL5964501 0.63 KMT2A (0.49) KMT2AKCNMA1MGAMAMY1AGAA
SCHEMBL4861896 0.62 DHODH (0.43) ALDH1A1GAAHPGDSMN1; SMN2CNR1

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-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed