SCHEMBL17847687

SCHEMBL17847687

C=CC(=O)Nc1cc(CI)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ TGM2 P21980 7/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ FGFR1 P11362 8/20 0.37
▸ FGFR4 P22455 8/20 0.37
▸ BCL2A1 Q16548 1/20 0.36
▸ F13A1 P00488 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ TGM3 Q08188 1/20 0.36

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
SCHEMBL28043945 0.86 HDAC1 (0.41) HDAC2HDAC3HDAC1TGM2THRA
SCHEMBL15942177 0.81 THRA (0.38) HDAC2HDAC3HDAC1TGM2THRA
SCHEMBL17847676 0.79 HDAC1 (0.35) HDAC2HDAC3HDAC1
SCHEMBL15938644 0.76 TGM2 (0.54) HDAC2HDAC3HDAC1TGM2THRB
SCHEMBL15938387 0.76 TGM2 (0.54) HDAC2HDAC3HDAC1TGM2
SCHEMBL15938273 0.76 MEN1 (0.43) HDAC2HDAC3HDAC1TGM2
SCHEMBL15941566 0.75 BCL2A1 (0.51) HDAC2HDAC3HDAC1FGFR4BCL2A1
SCHEMBL15941228 0.75 EGFR (0.49) BCL2A1LMNA
Hydrochloric Acid SCHEMBL18249511 0.75 TGM2 (0.53) HDAC2HDAC3HDAC1TGM2FGFR1
SCHEMBL28043956 0.74 TGM2 (0.39) HDAC1TGM2THRATHRBFGFR1

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
WO-2016100452-A2 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-23 — — WO disclosed
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