SCHEMBL16127844

SCHEMBL16127844

CC(=O)c1ccccc1C(=O)NCc1ccccc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.57
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ RCE1 Q9Y256 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ PLA2G1B P04054 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16088694 0.88 HTT (0.58) HPGDALDH1A1KDM4ERCE1KMT2A
SCHEMBL13167369 0.83 LIPG (0.49) HPGDALDH1A1KMT2AHTTLIPG
SCHEMBL13947262 0.79 HDAC1 (0.56) HPGDALDH1A1KMT2AHTTGAA
SCHEMBL1286684 0.76 IRAK4 (0.53) ALDH1A1KDM4EKMT2AHTTGAA
SCHEMBL24323097 0.74 ALDH1A1 (0.45) HPGDALDH1A1KMT2AHTTLIPG
SCHEMBL1655461 0.72 SMN1; SMN2 (0.56) HPGDALDH1A1KDM4ETDP1PLA2G1B
SCHEMBL12852529 0.72 MCL1 (0.53) ALDH1A1GAAPKM
SCHEMBL5213976 0.72 POLB (0.49) HPGDGAASMN1; SMN2NPC1LIPG
SCHEMBL23611756 0.71 SMN1; SMN2 (0.55) HPGDALDH1A1KDM4ETDP1HTT
SCHEMBL22994473 0.70 HPGD (0.45) HPGDKDM4EKMT2AHTTSMN1; SMN2

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-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 — — WO disclosed
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