SCHEMBL20105594

SCHEMBL20105594

CCn1c(N)c(NCc2ccc(Cl)cc2)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
MAPT P10636 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 9/20 0.61
GAA P10253 6/20 0.61
GLA P06280 1/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
USP2 O75604 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 1/20 0.50
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
BRD4 O60885 2/20 0.44
BRD2 P25440 2/20 0.44

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
SCHEMBL22111515 0.88 KDM4E (0.78) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL15922546 0.84 KMT2A (0.56) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL6093649 0.75 KDM4E (0.80) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL7673685 0.73 MEN1 (0.56) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL18834071 0.73 KMT2A (0.44) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL16028787 0.71 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL7090585 0.71 KDM4E (0.54) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL15923883 0.68 GAA (0.51) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL8350979 0.68 MEN1 (0.44) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL9300858 0.67 KDM4E (0.72) KDM4EMEN1KMT2AMAPTNPSR1

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-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed