SCHEMBL3947643

SCHEMBL3947643

OCc1ccnc(C(Cl)(Cl)Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
LOXL2 Q9Y4K0 3/20 0.43
LOX P28300 2/20 0.42
PLAU P00749 1/20 0.38
KRAS P01116 2/20 0.35
PRKCI P41743 1/20 0.35
KCNQ2 O43526 1/20 0.35
LOXL3 P58215 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34

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
SCHEMBL4017517 0.85 LOXL2 (0.41) RECQLLOXL2LOXKCNQ2LOXL3
SCHEMBL29988849 0.80 LOXL2 (0.67) RECQLLOXL2LOXKCNQ2
SCHEMBL9057494 0.80 LOXL2 (0.67) RECQLLOXL2LOXKCNQ2
SCHEMBL13718960 0.80 RECQL (0.52) RECQLLOXL2LOXPLAUPRKCI
SCHEMBL2323334 0.78 RECQL (0.50) RECQLLOXL2LOXPLAUPRKCI
SCHEMBL29504608 0.78 RECQL (0.50) RECQLLOXL2LOXPLAUPRKCI
SCHEMBL8764955 0.72 SMARCA2 (0.33) LOXL2CYP3A4LMNASMN1; SMN2CA12
SCHEMBL451390 0.72
SCHEMBL13541414 0.72 RECQL (0.61) RECQLLOXL2LOXPLAUKRAS
SCHEMBL29393772 0.72 RECQL (0.61) RECQLLOXL2PLAUKRASPRKCI

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
US-7572905-B1 Apoptotic protease activating factor 1 (APAF1) gene, some mutant alleles of which cause susceptibility to depression MYRIAD GENETICS, INC. (US) 2009-08-11 US disclosed