SCHEMBL4379718

SCHEMBL4379718

Nc1ccccc1NC(=O)c1ccc(C(CCCCCN2CCOCC2)NC(=O)NC2CCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
EPHX1 P07099 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 7/20 0.38
CNR2 P34972 6/20 0.38
CNR1 P21554 5/20 0.38
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL4224516 0.88 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4220661 0.86 ALDH1A1 (0.41) GAAHDAC1HDAC3HDAC2HDAC4
SCHEMBL4229197 0.85 HDAC1 (0.41) GAAHDAC1HDAC3HDAC2HDAC4
SCHEMBL4229364 0.85 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4229423 0.84 MAPT (0.42) GAAHDAC1HDAC3HDAC2HDAC10
SCHEMBL4222628 0.84 HDAC1 (0.38) EPHX2HDAC1HDAC3HDAC2HDAC4
SCHEMBL4234597 0.84 MAPT (0.43) GAAHDAC1HDAC3HDAC2HDAC10
SCHEMBL4224540 0.84 EPHX2 (0.48) EPHX2HDAC1HDAC3HDAC2HDAC4
SCHEMBL4233205 0.83 CASR (0.46) GAAHDAC1HDAC3HDAC2HDAC4
SCHEMBL4233200 0.82 HDAC3 (0.41) EPHX2HDAC1HDAC3HDAC2HDAC4

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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP claimed