SCHEMBL18917239

SCHEMBL18917239

Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
NLRP1 Q9C000 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 3/20 0.49
PPARG P37231 2/20 0.49
NPC1 O15118 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL10322934 0.81 MEN1 (0.58) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL10322933 0.79 HDAC8 (0.56) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL8987867 0.78 MEN1 (0.78) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL13947380 0.77 MEN1 (0.72) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL25872270 0.77 MEN1 (0.72) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL6077374 0.76 EPHX2 (0.80) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL2832296 0.75 MAPT (0.72) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL5333738 0.75 TSHR (0.66) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL10321777 0.75 EPHX2 (0.61) MEN1KMT2ACYP2C19CYP1A2RAB9A
SCHEMBL18773661 0.75 CA1 (0.67) MEN1KMT2ACYP2C19CYP1A2RAB9A

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-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed