SCHEMBL14623673

SCHEMBL14623673

CC(F)(F)c1cc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
F10 P00742 1/20 0.47
TSHR P16473 4/20 0.47
APOBEC3G Q9HC16 1/20 0.46
SMPD1 P17405 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 3/20 0.45

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
SCHEMBL3472724 0.94 GAA (0.51) ATMALDH1A1GAAKDM4ECYP3A4
SCHEMBL3474130 0.87 KDM4E (0.53) ALDH1A1GAAKDM4ECYP3A4CYP2C9
SCHEMBL14622689 0.86 MAPT (0.51) ATMALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL3474999 0.80 MAPT (0.54) ATMALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL3472746 0.79 RXRA (0.52) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL3471268 0.79 KMT2A (0.56) ALDH1A1GAAKDM4EMAPK1SMN1; SMN2
SCHEMBL3472034 0.78 RXRA (0.51) KDM4ESMN1; SMN2MAPTF10POLB
SCHEMBL3471019 0.78 RXRA (0.51) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL3475287 0.78 KDM4E (0.55) KDM4ECYP2C19SMN1; SMN2MAPTMEN1
SCHEMBL14624812 0.78 TRPV1 (0.53) SMN1; SMN2MAPTPOLB

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-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed