SCHEMBL23864347

SCHEMBL23864347

C=Cc1ccc(CNC(=C)c2ccccc2C(=C)C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
PPARG P37231 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RCE1 Q9Y256 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLK1 P06870 1/20 0.31

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
SCHEMBL23864392 0.83 HTT (0.30) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL23864482 0.75 TSHR (0.36) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL23864326 0.75 LMNA (0.43) ALDH1A1MAPTPPARGNPC1RAB9A
SCHEMBL23864264 0.72 PARP1 (0.32)
SCHEMBL23864637 0.71 TXNRD1 (0.37) ALDH1A1RAB9AKMT2AMEN1CYP1A2
SCHEMBL23864366 0.71 MAPT (0.37) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL23864723 0.71 MAPT (0.37) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL23864539 0.70 HPGD (0.33) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL23864239 0.70
SCHEMBL23864246 0.70 TXNRD1 (0.36) ALDH1A1MAPTRAB9AKMT2AMEN1

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-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed