SCHEMBL9823183

SCHEMBL9823183

COc1ccc(-c2nc(C(=O)Nc3nnn[nH]3)cs2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.52
CYP1A1 P04798 5/20 0.48
CYP1B1 Q16678 5/20 0.48
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45

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
SCHEMBL9823559 0.88 IRAK4 (0.46) IRAK4POLBMEN1KMT2AALDH1A1
SCHEMBL9823416 0.86 IRAK4 (0.51) IRAK4MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL9823609 0.85 IRAK4 (0.50) IRAK4MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL9823630 0.85 IRAK4 (0.50) IRAK4MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL9823479 0.85 TLR7 (0.61) IRAK4POLBKMT2AALDH1A1NPC1
SCHEMBL9823455 0.84 IRAK4 (0.59) IRAK4ALDH1A1NPC1HPGDTLR7
SCHEMBL9823363 0.83 IRAK4 (0.48) IRAK4CYP1A1CYP1B1POLBNPC1
SCHEMBL9823391 0.81 TLR7 (0.48) IRAK4ALDH1A1TLR7MAPT
Monoethanolamine SCHEMBL10552824 0.79 TLR7 (0.54) IRAK4POLBRXFP1KMT2ACYP1A2
SCHEMBL9823191 0.78 IRAK4 (0.42) IRAK4NPSR1TLR7MAPTATM

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 3 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
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP disclosed