SCHEMBL7739094

SCHEMBL7739094

O=C(Oc1ccc(Cl)cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.57
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49

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
SCHEMBL3149936 0.93 KMT2A (0.63) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9189720 0.91 PARP10 (0.67) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5710451 0.91 PARP10 (0.67) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL26375073 0.89 PARP10 (0.65) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL26039015 0.89 PARP10 (0.70) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4425652 0.89 PARP10 (0.65) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL197094 0.89 KMT2A (0.63) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL26038599 0.87 PARP10 (0.67) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2462824 0.87 PARP10 (0.61) PARP10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2638440 0.87 PARP10 (0.67) PARP10KMT2AMEN1SMN1; SMN2MAPT

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
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed