SCHEMBL9823799

SCHEMBL9823799

Cc1ccc(-c2nc(C(=O)Nc3nnn[nH]3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
TLR7 Q9NYK1 7/20 0.59
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
MAPK1 P28482 1/20 0.45
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44

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
Monoethanolamine SCHEMBL10553577 0.93 RAB9A (0.53) RAB9ANPC1POLBTLR7ALDH1A1
SCHEMBL9823541 0.89 RAB9A (0.61) RAB9ANPC1POLBTLR7ALDH1A1
SCHEMBL9823214 0.89 TLR7 (0.49) RAB9ANPC1POLBTLR7GAA
SCHEMBL9823539 0.89 MAPT (0.60) RAB9ANPC1POLBTLR7GAA
SCHEMBL9823477 0.88 TDP1 (0.64) RAB9ANPC1TLR7ALDH1A1GAA
SCHEMBL9823576 0.87 LMNA (0.50) RAB9ANPC1POLBTLR7GAA
SCHEMBL9823479 0.87 TLR7 (0.61) RAB9ANPC1POLBTLR7ALDH1A1
SCHEMBL9823285 0.87 RAB9A (0.50) RAB9ANPC1POLBTLR7ALDH1A1
SCHEMBL9823543 0.86 IRAK4 (0.57) RAB9ANPC1POLBTLR7ALDH1A1
SCHEMBL9823528 0.84 IRAK4 (0.42) RAB9ANPC1POLBTLR7ALDH1A1

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-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed