SCHEMBL9201653

SCHEMBL9201653

COC(OC)C1(C)C=C(N2CCCC2=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9204440 0.90 NR1H4 (0.35) NR1H4MEN1KMT2APOLBAPEX1
SCHEMBL10757454 0.84 CASP6 (0.40) NR1H4MEN1KMT2APOLBAPEX1
SCHEMBL9735458 0.82 NR1H4 (0.39) NR1H4MEN1KMT2APOLBAPEX1
SCHEMBL9202844 0.82 PDE4A (0.44) HTTMALT1CYP1A2CYP2D6CYP2C9
SCHEMBL9198312 0.82 SMN1; SMN2 (0.34) MEN1KMT2AHTTRAB9ASMN1; SMN2
SCHEMBL9204395 0.81 LRRK2 (0.35) HTTKDM4ETACR1
SCHEMBL8120777 0.79 CASP6 (0.37) NR1H4MEN1KMT2APOLBAPEX1
SCHEMBL9271111 0.77 SMN1; SMN2 (0.48) MEN1KMT2AHTTGAASMN1; SMN2
SCHEMBL8123714 0.76 CASP6 (0.37) NR1H4MEN1KMT2APOLBAPEX1
SCHEMBL9147582 0.75 KMT2A (0.40) NR1H4MEN1KMT2APOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP claimed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP claimed
JP-5178850-A None JP disclosed
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
JP-H05178850-A BENZOPYRAN DERIVATIVE, ITS PREPARATION AND ANTIHYPERTENSIVE AGENT KOREA RES INST CHEM TECHNOL 1993-07-20 JP disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed