SCHEMBL11315808

SCHEMBL11315808

O=C(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)C(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ TMPRSS4 Q9NRS4 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ KCNJ5 P48544 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ CASR P41180 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CES2 O00748 1/20 0.42

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
SCHEMBL11318170 0.84 AR (0.65) ALDH1A1LMNACES2ABCB11CYP1A2
SCHEMBL11306381 0.81 TACR1 (0.63) MAPTTP53ALDH1A1POLBTMPRSS4
SCHEMBL11305535 0.80 PDK1 (0.51) MAPTALDH1A1POLBPDK1TMPRSS4
SCHEMBL11308042 0.79 PDK1 (0.50) MAPTALDH1A1POLBPDK1TMPRSS4
SCHEMBL14853314 0.77 HDAC1 (0.61) MAPTTP53ALDH1A1POLBMEN1
SCHEMBL11879435 0.75 ALDH1A1 (0.68) MAPTALDH1A1PDK1TMPRSS4MEN1
SCHEMBL11307468 0.75 AR (0.56) MAPTALDH1A1PDK1TMPRSS4MEN1
SCHEMBL11308062 0.75 KCNJ5 (0.52) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL26545921 0.74 TACR1 (0.55) MAPTTP53ALDH1A1POLBTMPRSS4
SCHEMBL11794204 0.74 AR (0.52) MAPTALDH1A1PDK1TMPRSS4MEN1

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-4299845-A BACTERICIDES, FUNGICIDES SCHERING CORPORATION (US) 1981-11-10 — — US disclosed
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