SCHEMBL7126678

SCHEMBL7126678

O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.64
▸ ROCK1 Q13464 1/20 0.64
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ LMNA P02545 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ EPHX2 P34913 2/20 0.61
▸ NAMPT P43490 3/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TP53 P04637 1/20 0.59
▸ KCNK3 O14649 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL5665029 0.89 EPHX2 (0.76) ROCK2ROCK1KMT2AMEN1TSHR
SCHEMBL18825628 0.88 RORC (0.63) ROCK2ROCK1KMT2AMEN1TSHR
SCHEMBL13167592 0.83 NAMPT (0.82) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL11161284 0.82 ROCK2 (0.66) ROCK2ROCK1KMT2AMEN1TSHR
SCHEMBL29362556 0.81 ROCK2 (0.73) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL9031269 0.81 ROCK2 (0.73) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL6122991 0.80 ABL1 (0.76) ROCK2ROCK1KMT2ARAB9ANPC1
SCHEMBL12977899 0.80 RAB9A (0.67) LMNAHIF1AEPHX2NAMPTRAB9A
SCHEMBL5384036 0.79 ROCK2 (0.76) ROCK2ROCK1KMT2AMEN1LMNA
Nicotinanilide SCHEMBL352439 0.79 LMNA (0.83) ROCK2ROCK1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO disclosed
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