SCHEMBL9825653

SCHEMBL9825653

CCOC(=O)c1c(OC(C)C)c(Br)c(Br)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
USP2 O75604 2/20 0.37
TSHR P16473 4/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 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
SCHEMBL9826713 0.83 CSNK2A2 (0.34) NPSR1HPGDL3MBTL1ALDH1A1MAPT
SCHEMBL9825854 0.80 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL9826071 0.78 ALDH1A1 (0.56) KMT2AHPGDL3MBTL1ALDH1A1GAA
SCHEMBL9826299 0.76 TSHR (0.47) KMT2ATSHRHPGDL3MBTL1ALDH1A1
SCHEMBL10003454 0.73 MAPT (0.40) KMT2AALDH1A1GAAMAPTPKM
SCHEMBL10004195 0.72 KMT2A (0.36) KMT2APPARGNCOA2NCOA1NPSR1
SCHEMBL12003569 0.72 MAPT (0.37) KMT2APPARGNCOA2NCOA1NPSR1
SCHEMBL28020117 0.71 KMT2A (0.49) KMT2AUSP2HPGDCYP3A4ALDH1A1
SCHEMBL10002900 0.71 MAPT (0.42) KMT2APPARGNCOA2NCOA1NPSR1
SCHEMBL10003501 0.70 KDM4E (0.37) KMT2APPARGNCOA2NCOA1NPSR1

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