SCHEMBL1973758

SCHEMBL1973758

O=C(NCc1ccc(Cl)cc1Cl)c1cn(C2CC2)c2c(F)c(N3CCC(C(=O)NC4CCCCC4)CC3)c(Cl)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 2/20 0.40
PTGES O14684 2/20 0.39
P2RX7 Q99572 2/20 0.39

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
SCHEMBL1973757 0.91 ALDH1A1 (0.46) EPHX2MEN1ALDH1A1LMNAALPL
SCHEMBL1972817 0.87 EPHX2 (0.42) EPHX2ALDH1A1P2RX7
SCHEMBL1975578 0.80 P2RX7 (0.39) EPHX2P2RX7
SCHEMBL12427407 0.80 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAP2RX7
SCHEMBL1972816 0.79 ALDH1A1 (0.45) EPHX2ALDH1A1
SCHEMBL12427409 0.78 KCNH2 (0.55) EPHX2MEN1ALDH1A1LMNAHPGD
SCHEMBL12427384 0.78 ALDH1A1 (0.47) EPHX2ALDH1A1HTT
SCHEMBL965846 0.77 SLC22A2 (0.48) EPHX2ALDH1A1P2RX7
SCHEMBL1006767 0.76 ALDH1A1 (0.48) ALDH1A1LMNAP2RX7
SCHEMBL12427348 0.76 KCNH2 (0.51) MEN1ALDH1A1LMNAHPGDKMT2A

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-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed