SCHEMBL2560402

SCHEMBL2560402

CC(C)Cc1ccc(B(O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
EPHX1 P07099 1/20 0.40
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 3/20 0.37
ESR1 P03372 3/20 0.37
ALOX5 P09917 3/20 0.37
CXCR1 P25024 3/20 0.37
CXCR2 P25025 3/20 0.37
AKR1C3 P42330 2/20 0.37
NFKB1 P19838 2/20 0.37
HTR2A P28223 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
ALB P02768 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NR1I3 Q14994 1/20 0.37

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
SCHEMBL25494055 0.79 GABRA1 (0.56) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL3785854 0.79 ENPP2 (0.44) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL3780654 0.79 LPL (0.48) TSHRALOX15KDM4EALDH1A1HPGD
SCHEMBL10134729 0.79 F11 (0.47) NFKB1ALDH1A1CYP3A4
SCHEMBL3021690 0.78 GABRA1 (0.48) GABRA1GABRB2EPHX1PTGS2PTGS1
SCHEMBL6766811 0.78 GABRA1 (0.46) GABRA1GABRB2EPHX1PTGS2PTGS1
SCHEMBL6678994 0.77 GABRA1 (0.63) GABRA1GABRB2EPHX1PTGS2LMNA
SCHEMBL25381438 0.77 GAA (0.33) TSHRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6771809 0.75 FOS (0.51) GABRA1GABRB2ALOX15ALOX12CYP3A4
SCHEMBL11810892 0.75 GABRA1 (0.55) GABRA1GABRB2EPHX1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed