SCHEMBL14640464

SCHEMBL14640464

O=c1cc(Cl)sn1Cc1ccc(-c2csnn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
KAT2B Q92831 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
NOTUM Q6P988 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
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
IDH1 O75874 1/20 0.39

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
SCHEMBL14640600 0.87 RAB9A (0.39) KMT2ARAB9AKAT2BMEN1NPC1
SCHEMBL5593627 0.81 KMT2A (0.43) KMT2ARAB9AKAT2BMEN1NPC1
SCHEMBL14640431 0.80 ALDH1A1 (0.53) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL5593605 0.77 RAB9A (0.46) KMT2ARAB9AKAT2BMEN1NPC1
SCHEMBL678175 0.74 KAT2B (0.58) KMT2AKAT2BMEN1MAPT
SCHEMBL80967 0.71 KAT2B (0.58) KAT2BMAPTALDH1A1HPGDMGLL
SCHEMBL95791 0.71 KMT2A (0.58) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL3001943 0.71 KMT2A (0.58) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL19900671 0.70 KMT2A (0.78) KMT2ARAB9AMEN1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL9517520 0.70 KAT2B (0.56) KAT2BMAPTALDH1A1HPGD

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