SCHEMBL16200315

SCHEMBL16200315

COc1cc(C)c(CNC2CCCC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
KDM4E B2RXH2 4/20 0.58
HTT P42858 3/20 0.58
GAA P10253 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MITF O75030 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.43
PABPC1 P11940 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
SCHEMBL13178799 0.82 KMT2A (0.55) KMT2AMEN1KDM4EHTTGAA
SCHEMBL14036538 0.80 KDM1A (0.57) KMT2AMEN1KDM4EHTTGAA
SCHEMBL16200316 0.78 KMT2A (0.52) KMT2AMEN1KDM4EHTTGAA
SCHEMBL13178806 0.77 SLC6A4 (0.48) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL13184317 0.76 MEN1 (0.47) KMT2AMEN1KDM4EHTTGAA
SCHEMBL16200311 0.76 MAPT (0.42) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL14036621 0.75 MEN1 (0.49) KMT2AMEN1KDM4EHTTGAA
SCHEMBL11782294 0.75 MEN1 (0.64) KMT2AMEN1KDM4EHTTGAA
SCHEMBL11684657 0.74 KMT2A (0.67) KMT2AMEN1KDM4EHTTGAA
SCHEMBL16200298 0.74 ALDH1A1 (0.47) KMT2AMEN1KDM4EGAAALDH1A1

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed