SCHEMBL17249912

SCHEMBL17249912

O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.71
TDP2 O95551 2/20 0.71
PLA2G1B P04054 1/20 0.71
ATG4B Q9Y4P1 1/20 0.71
MAPT P10636 8/20 0.62
POLB P06746 2/20 0.62
CASP3 P42574 2/20 0.62
GALK1 P51570 2/20 0.62
KMT2A Q03164 2/20 0.62
HKDC1 Q2TB90 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
APAF1 O14727 1/20 0.62
THRB P10828 1/20 0.62
RECQL P46063 1/20 0.62
SAE1 Q9UBE0 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
DHODH Q02127 2/20 0.60
ALDH1A1 P00352 6/20 0.58

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
SCHEMBL8568869 0.84 NSD2 (0.73) NSD2TDP2PLA2G1BATG4BMAPT
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL29590404 0.83 NSD2 (0.67) NSD2TDP2PLA2G1BATG4BMAPT
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL197256 0.83 NSD2 (0.67) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL8651868 0.83 NSD2 (1.00) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL10446114 0.83 NSD2 (0.71) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL10558097 0.83 MAPT (0.66) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL10768489 0.81 NSD2 (0.64) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL10556652 0.80 NSD2 (0.67) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL17249906 0.80 NSD2 (0.70) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL17249925 0.79 MAPT (0.61) NSD2TDP2PLA2G1BATG4BMAPT

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
WO-2015172076-A1 NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-11-12 WO disclosed