SCHEMBL3407747

SCHEMBL3407747

CC(=O)c1ccccc1-n1cc(O)c2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
EGFR P00533 1/20 0.38
RORC P51449 6/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 3/20 0.36
NOTUM Q6P988 1/20 0.35
CXCR3 P49682 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3409491 0.84 ALDH1A1 (0.43) RORCCYP3A4CYP2C9KMT2AHPGD
SCHEMBL3406897 0.81 PABPC1 (0.33) EGFRKMT2AHPGDMAPTALDH1A1
SCHEMBL3405019 0.79 POLB (0.42) EGFRKMT2AMAPTALDH1A1KDM4E
SCHEMBL3402387 0.77 LMNA (0.44) CYP3A4KMT2AHPGDMAPTALDH1A1
SCHEMBL3404051 0.75 EGFR (0.48) EGFRKMT2AHPGDMAPTKDM4E
SCHEMBL27716107 0.71 RORC (0.52) RORCCYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL24970183 0.70 ALDH1A1 (0.53) CNR2CNR1KMT2AHPGDMAPT
SCHEMBL140825 0.70 ALDH1A1 (0.41) EGFRKMT2AHPGDALDH1A1KDM4E
SCHEMBL154462 0.69 NOTUM (0.50) KMT2ANOTUMMAPTALDH1A1
SCHEMBL22450702 0.69 KMT2A (0.43) CNR2CNR1EGFRKMT2ANOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed