SCHEMBL2373281

SCHEMBL2373281

COC(=O)c1c(CBr)c(-c2cccc(Cl)c2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MAPT P10636 4/20 0.55
PLA2G2A P14555 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TRPV4 Q9HBA0 1/20 0.46
HTT P42858 2/20 0.46
NR1I3 Q14994 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TACR3 P29371 1/20 0.44
LTB4R Q15722 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL2372595 0.88 SMN1; SMN2 (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4668037 0.87 TACR3 (0.53) PLA2G2AMEN1KMT2ASMN1; SMN2TACR3
SCHEMBL2373101 0.85 MAPT (0.69) KDM4EMAPTPLA2G2AMEN1KMT2A
SCHEMBL2372559 0.84 TRPV4 (0.50) KDM4ESMN1; SMN2TRPV4TACR3DHODH
SCHEMBL2373216 0.81 LMNA (0.51) KDM4EMAPTPLA2G2ASMN1; SMN2TRPV4
SCHEMBL2372472 0.81 PLA2G2A (0.51) KDM4EMAPTPLA2G2AMEN1KMT2A
SCHEMBL27729454 0.79 LMNA (0.53) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4875432 0.79 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4868977 0.76 MEN1 (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14115125 0.76 SMN1; SMN2 (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed