SCHEMBL9829979

SCHEMBL9829979

COc1ccc(-c2nc(C)c(N)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.62
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
TP53 P04637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PKM P14618 1/20 0.51
APP P05067 2/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
LTA4H P09960 1/20 0.48
POLB P06746 1/20 0.47
SULT1A1 P50225 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL9436438 0.82 ALOX5 (0.66) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL9830647 0.79 ALDH1A1 (0.56) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL5399289 0.79 ALOX5 (0.62) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL2070608 0.79 RAB9A (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL7688360 0.78 SMN1; SMN2 (0.56) ALOX5ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10996350 0.78 LMNA (0.58) ALOX5ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14148755 0.78 PTGDR2 (0.60) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL14148648 0.78 PTGDR2 (0.60) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL13801084 0.77 KDM4E (0.61) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL10958200 0.77 CDC7 (0.49) ALDH1A1MAPTKDM4EHSD17B10SMN1; SMN2

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-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed