SCHEMBL3715503

SCHEMBL3715503

COC(=O)c1cc(Cl)nc(Nc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PPARG P37231 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
CDK2 P24941 1/20 0.46
ROCK1 Q13464 1/20 0.46
RAB9A P51151 2/20 0.46
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL3711270 0.79 PIK3CA (0.61) KDM4EALDH1A1HPGD
SCHEMBL569249 0.79 ALDH1A1 (0.59) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL18706065 0.79 CSNK2A1 (0.57) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL3715743 0.78 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL732748 0.78 KDM4E (0.51) KDM4EMEN1KMT2ANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL29890892 0.77 ALDH1A1 (0.57) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL29371765 0.74 KDM4E (0.53) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL14479830 0.74 KDM4E (0.53) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL10144355 0.74 MAPT (0.52) PPARAKDM4EMAPTMEN1KMT2A
SCHEMBL13277358 0.74 ALDH1A1 (0.46) KDM4EMAPTMEN1KMT2APOLB

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed