SCHEMBL14640600

SCHEMBL14640600

O=c1cc(Cl)sn1Cc1cccc(-c2csnn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
KAT2B Q92831 5/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.37
MET P08581 2/20 0.36
MGLL Q99685 2/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
IDH1 O75874 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14640464 0.87 KMT2A (0.43) RAB9AKAT2BKMT2ANPC1SMN1; SMN2
SCHEMBL80967 0.73 KAT2B (0.58) KAT2BALDH1A1HPGDMGLLMAPT
Hydrochloric Acid SCHEMBL9517520 0.72 KAT2B (0.56) KAT2BALDH1A1HPGDMAPT
SCHEMBL5593775 0.72 KAT2B (0.49) KAT2BALDH1A1HPGDMAPT
SCHEMBL14640434 0.70 KAT2B (0.46) KAT2BKMT2AMEN1ALDH1A1HPGD
SCHEMBL5593627 0.69 KMT2A (0.43) RAB9AKAT2BKMT2ANPC1SMN1; SMN2
SCHEMBL13788687 0.68 PRMT6 (0.59) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL5593916 0.68 KAT2B (0.47) KAT2BKMT2AMEN1ALDH1A1HPGD
SCHEMBL5541978 0.68 KMT2A (0.47) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL5541973 0.68 KMT2A (0.47) RAB9AKMT2ANPC1SMN1; SMN2MEN1

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-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed