SCHEMBL9826778

SCHEMBL9826778

COC(=O)c1[nH]c(Br)c(Br)c1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.35
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
PADI4 Q9UM07 1/20 0.30

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
SCHEMBL9826081 0.83 KMT2A (0.34) ALDH1A1
SCHEMBL31211211 0.73 ALDH1A1 (0.35) ULK1KDM4CALDH1A1NPSR1KDM4E
SCHEMBL2919386 0.73 L3MBTL1 (0.42) CCNCCDK8KDM4CALDH1A1TSHR
SCHEMBL7559737 0.69 TUBB4A (0.53) ALDH1A1HSD17B10NPSR1KDM4EGAA
SCHEMBL30725399 0.68 KDM4C (0.38) CCNCCDK8KDM4CALDH1A1USP2
SCHEMBL10691520 0.67 ALDH1A1 (0.39) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL9826713 0.66 CSNK2A2 (0.34) ALDH1A1NPSR1KDM4E
SCHEMBL9142206 0.65 TUBB4A (0.56) ALDH1A1USP2TSHRHSD17B10NPSR1
SCHEMBL7838547 0.62 TSHR (0.43) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL14011276 0.62 NPSR1 (0.50) ALDH1A1TSHRNPSR1KDM4E

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