SCHEMBL23864686

SCHEMBL23864686

C=C(C)c1ccccc1Nc1ccccc1C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.49
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C4 P17516 1/20 0.44
FABP4 P15090 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
PTGS2 P35354 2/20 0.43
HIF1A Q16665 2/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43
DHFR P00374 1/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL28350435 0.87 MAPT (0.58) CLCN2AKR1C3AKR1C2FABP4MEN1
SCHEMBL15119809 0.85 MAPT (0.65) KMT2ALMNACYP1A2PTGS2TDP1
SCHEMBL8574363 0.84 POLB (0.53) CLCN2FABP4KMT2ATDP1MAPT
SCHEMBL12333926 0.84 CLCN2 (0.41) CLCN2KMT2ALMNACYP1A2CYP3A4
SCHEMBL22385143 0.82 MAPT (0.53) CLCN2AKR1C3AKR1C2FABP4MEN1
SCHEMBL14344990 0.82 POLB (0.44) CLCN2KMT2ALMNAMAPTHPGD
Hydrochloric Acid SCHEMBL28447296 0.82 POLB (0.52) CLCN2FABP4KMT2ATDP1MAPT
SCHEMBL11463051 0.82 CLCN2 (0.40) CLCN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL18287256 0.80 MEN1 (0.61) CLCN2MEN1KMT2ALMNAKDM4E
SCHEMBL107161 0.79 MEN1 (0.40) CLCN2MEN1KMT2APTGS2PTGS1

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