SCHEMBL10249196

SCHEMBL10249196

Cc1cc(CNCc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
CACNA1B Q00975 2/20 0.42
CACNA1G O43497 1/20 0.42
MITF O75030 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL27832409 0.85 HTT (0.57) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL184171 0.82 LTA4H (0.51) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL184800 0.80 LTA4H (0.50) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL8808661 0.79 HTT (0.61) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL2734654 0.78 NPC1 (0.46) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL18415593 0.78 ALDH1A1 (0.65) LMNASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL15164010 0.77 LTA4H (0.47) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL8497924 0.77 LTA4H (0.79) LTA4HEPHX2LMNASMN1; SMN2HTT
SCHEMBL13568182 0.76 LMNA (0.53) LMNAHTTALDH1A1KDM4ECYP3A4
SCHEMBL184395 0.74 GRM2 (0.46) LTA4HEPHX2CYP3A4

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-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed