SCHEMBL18953510

SCHEMBL18953510

O=C(O)Nc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.78
▸ NPC1 O15118 6/20 0.78
▸ MAPT P10636 2/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ PTPN1 P18031 3/20 0.77
▸ KMT2A Q03164 2/20 0.74
▸ SIRT1 Q96EB6 1/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ KDM4E B2RXH2 1/20 0.74
▸ POLB P06746 1/20 0.74
▸ CACNA1B Q00975 1/20 0.69
▸ APBA1 Q02410 1/20 0.69
▸ PRMT1 Q99873 1/20 0.67
▸ FFAR1 O14842 1/20 0.67
▸ PGR P06401 1/20 0.67
▸ JAK2 O60674 1/20 0.66
▸ TYK2 P29597 1/20 0.66
▸ KCNK3 O14649 1/20 0.64
▸ KCNK9 Q9NPC2 1/20 0.64
▸ LMNA P02545 1/20 0.64

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
SCHEMBL126415 0.93 PTPN1 (0.87) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL14715824 0.91 NPC1 (0.88) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL18103163 0.91 NPC1 (0.88) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL21646053 0.91 NPC1 (0.72) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL26953087 0.89 PTPN1 (0.88) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL24202631 0.89 SIRT1 (0.83) RAB9ANPC1MAPTSMN1; SMN2PTPN1
N-Phenylbenzamide SCHEMBL31966 0.89 SIRT1 (0.83) RAB9ANPC1MAPTSMN1; SMN2PTPN1
N-Phenylbenzamide SCHEMBL5402750 0.89 SIRT1 (0.83) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL82305 0.88 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL18330583 0.87 PTPN1 (0.77) RAB9ANPC1MAPTSMN1; SMN2PTPN1

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-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 — — WO disclosed
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