SCHEMBL746629

SCHEMBL746629

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(F)c2)C(=O)Oc2cc(Cl)cc3c2NCCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DHODH Q02127 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESRRG P62508 3/20 0.32
ESRRB O95718 1/20 0.32
MAPK14 Q16539 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
REN P00797 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL748502 0.95 DHODH (0.33) ALDH1A1KDM4EDHODHMAPTLMNA
Hydrochloric Acid SCHEMBL748627 0.94 DHODH (0.33) ALDH1A1KDM4EDHODHMAPTLMNA
SCHEMBL751895 0.93 DHODH (0.33) WDR5ALDH1A1DHODHMAPTLMNA
Hydrochloric Acid SCHEMBL750002 0.92 DHODH (0.33) ALDH1A1DHODHMAPTLMNAHPGD
SCHEMBL749615 0.91 MAPT (0.35) ALDH1A1KDM4EDHODHMAPTLMNA
Hydrochloric Acid SCHEMBL747204 0.91 MAPT (0.35) ALDH1A1KDM4EDHODHMAPTLMNA
SCHEMBL748640 0.88 TACR3 (0.32) ALDH1A1DHODHMAPTLMNAHPGD
Hydrochloric Acid SCHEMBL749783 0.88 TACR3 (0.32) ALDH1A1DHODHMAPTLMNAHPGD
SCHEMBL746728 0.87 DHODH (0.36) WDR5ALDH1A1KDM4EDHODHMAPT
SCHEMBL747122 0.86 TP53 (0.33) MAPTESRRGESRRBMAPK14PSEN1

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed