SCHEMBL9826299

SCHEMBL9826299

CCOC(=O)c1c(OC(C)C)c(Br)c(Br)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
PLCG1 P19174 1/20 0.43
PAX8 Q06710 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
S1PR3 Q99500 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9826437 0.87 TSHR (0.41) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL9825630 0.82 MAPT (0.52) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL9826071 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9825653 0.76 KMT2A (0.42) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL182493 0.74 MAPT (0.62) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL9826373 0.73 CCR5 (0.34) ALDH1A1MAPTPOLBLMNAGAA
SCHEMBL12502788 0.73 TSHR (0.51) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL2880809 0.72 TSHR (0.50) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL23421379 0.72 TSHR (0.52) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL14340990 0.71 TSHR (0.51) TSHRALDH1A1MAPK1MAPTPOLB

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