SCHEMBL11822995

SCHEMBL11822995

CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPT P10636 5/20 0.58
LMNA P02545 3/20 0.58
TP53 P04637 3/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
KCNMA1 Q12791 1/20 0.50
SERPINE1 P05121 1/20 0.50
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR9 P51686 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2705629 0.87 KCNMA1 (0.67) MAPTLMNATP53KMT2AHTT
SCHEMBL11827090 0.87 MAPT (0.72) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL31000396 0.87 MAPT (0.72) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL10952995 0.84 TP53 (0.53) MAPTLMNATP53KMT2AHTT
SCHEMBL19010188 0.82 TP53 (0.60) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL610759 0.81 ALDH1A1 (0.53) MAPTLMNATP53KMT2AHTT
SCHEMBL5782330 0.81 MAPT (0.55) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL11835391 0.80 KDM4E (0.60) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL7330681 0.80 KDM4E (0.60) KDM4EHSD17B10MAPTLMNATP53
SCHEMBL9469411 0.79 KDM4E (0.77) KDM4EHSD17B10MAPTLMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000153-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed