SCHEMBL9826523

SCHEMBL9826523

CC(C)Oc1c(C(=O)Nc2nnn[nH]2)oc(-c2ccccc2)c1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.39
DGAT1 O75907 1/20 0.36
TP53 P04637 2/20 0.34
BTK Q06187 1/20 0.34
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2B P29275 1/20 0.33
KLF5 Q13887 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
POLB P06746 2/20 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
SCHEMBL9826156 0.85 NPC1 (0.35) ADCY1TP53L3MBTL1NPC1RAB9A
SCHEMBL10370927 0.82 MAPT (0.36) ADCY1DGAT1TP53BTKNPC1
SCHEMBL10370988 0.82 ADCY1 (0.36) ADCY1DGAT1TP53BTKL3MBTL1
SCHEMBL9827551 0.81 NPC1 (0.33) L3MBTL1NPC1RAB9AALPLALPI
SCHEMBL10375126 0.78 ADCY1 (0.37) ADCY1TP53BTKADORA3ADORA2A
SCHEMBL9826836 0.77 MPO (0.39) ADCY1BTKADORA3ADORA2AADORA1
SCHEMBL10372057 0.76 ADCY1 (0.36) ADCY1DGAT1TP53BTKL3MBTL1
SCHEMBL10372540 0.76 MAPT (0.35) TP53L3MBTL1NPC1RAB9AMAPT
SCHEMBL9827162 0.75 KDM4E (0.41) ADCY1DGAT1TP53MAPTMEN1
SCHEMBL9826694 0.74 PTPN1 (0.39) ADCY1BTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US claimed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP claimed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed