SCHEMBL551714

SCHEMBL551714

CC(C)C(=O)Nc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TBXA2R P21731 1/20 0.39
AADAC P22760 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 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
SCHEMBL2702598 1.00 KDM4E (0.42) KDM4ERECQLALDH1A1CYP2C9CYP2C19
SCHEMBL550053 1.00 KDM4E (0.42) KDM4ERECQLALDH1A1CYP2C9CYP2C19
SCHEMBL550052 1.00 KDM4E (0.42) KDM4ERECQLALDH1A1CYP2C9CYP2C19
SCHEMBL2702601 1.00 KDM4E (0.42) KDM4ERECQLALDH1A1CYP2C9CYP2C19
SCHEMBL551713 1.00 KDM4E (0.42) KDM4ERECQLALDH1A1CYP2C9CYP2C19
SCHEMBL551111 0.91 MAPT (0.40) KDM4EALDH1A1CYP2C9TSHRMAPK1
SCHEMBL550880 0.91 MAPT (0.40) KDM4EALDH1A1CYP2C9TSHRMAPK1
SCHEMBL2699038 0.91 MAPT (0.40) KDM4EALDH1A1CYP2C9TSHRMAPK1
SCHEMBL551112 0.91 MAPT (0.40) KDM4EALDH1A1CYP2C9TSHRMAPK1
SCHEMBL550881 0.91 MAPT (0.40) KDM4EALDH1A1CYP2C9TSHRMAPK1

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed