SCHEMBL4418652

SCHEMBL4418652

O=C(CBr)Nc1nc(-c2ccc(F)c(Br)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.58
MEN1 O00255 11/20 0.58
RAB9A P51151 4/20 0.57
NPC1 O15118 1/20 0.55
ABL1 P00519 2/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
WNT3A P56704 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
PSMD14 O00487 1/20 0.50
ELOVL1 Q9BW60 1/20 0.50

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
SCHEMBL480671 0.85 TRPA1 (0.58) KMT2AMEN1RAB9ANPC1ABL1
SCHEMBL21586296 0.83 KMT2A (0.74) KMT2AMEN1RAB9AHDAC1HDAC6
SCHEMBL13190714 0.82 KMT2A (0.65) KMT2AMEN1RAB9ALMNAMAPK1
SCHEMBL480598 0.82 TRPA1 (0.61) KMT2AMEN1RAB9ANPC1ABL1
SCHEMBL4408570 0.82 GAA (0.61) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL611935 0.81 KMT2A (0.51) KMT2AMEN1RAB9ALMNAMAPK1
SCHEMBL480758 0.81 MAPT (0.71) KMT2AMEN1RAB9ANPC1ABL1
SCHEMBL10288914 0.80 MEN1 (0.65) KMT2AMEN1RAB9AABL1HDAC1
SCHEMBL2455704 0.80 ABL1 (0.72) KMT2AMEN1ABL1LMNA
SCHEMBL4410636 0.80 MAPT (0.70) KMT2AMEN1RAB9ANPC1ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed