SCHEMBL9826065

SCHEMBL9826065

Cc1ccc(Oc2ccsc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ESR2 Q92731 1/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AXL P30530 1/20 0.42
P2RX3 P56373 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL9826288 0.85 ALDH1A1 (0.46) ATMKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7848089 0.76 ALDH1A1 (0.72) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL834652 0.74 RAB9A (0.50) ESR2RAB9AKMT2AMEN1L3MBTL1
SCHEMBL28047062 0.74 ALDH1A1 (0.44) ATMESR2RAB9AKMT2AMEN1
SCHEMBL1162160 0.72 RAB9A (0.48) ESR2RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL11587492 0.71 KDM4E (0.56) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL11659943 0.70 RAB9A (0.54) ESR2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1840806 0.70 KMT2A (0.70) ESR2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL20505372 0.70 RAB9A (0.47) ESR2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8542954 0.70 CA12 (0.55) ALDH1A1L3MBTL1P2RX3KDM4EGAA

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 4 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 disclosed
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