SCHEMBL17595393

SCHEMBL17595393

BrCc1conc1-c1ccccc1.Nc1cc(OCc2cc(-c3ccccc3)no2)c2nn[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.53
▸ RAB9A P51151 7/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ HPGD P15428 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NOTUM Q6P988 2/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD2 P14416 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
SCHEMBL19283205 0.88 MPO (0.66) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL17596102 0.74 MPO (0.48) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL18616410 0.73 NOTUM (0.46) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL19283229 0.73 MPO (0.47) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL17596151 0.73 RAB9A (0.54) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL19295687 0.69 MPO (0.59) MPOSMN1; SMN2STAT3
SCHEMBL17596384 0.69 MPO (0.59) MPOSMN1; SMN2STAT3
SCHEMBL17596106 0.69 MPO (0.41) MPORAB9ANPC1SMN1; SMN2
SCHEMBL17595414 0.68 MAPT (0.43) MPORAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL17595677 0.68 MPO (0.45) MPORAB9ANPC1SMN1; SMN2HPGD

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
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 — — EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — WO disclosed
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