SCHEMBL8798345

SCHEMBL8798345

COC(OC)C1(C)C=C(c2ccccn2)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HPGD P15428 3/20 0.40
CYP17A1 P05093 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM1A O60341 1/20 0.36
HTR6 P50406 1/20 0.36
CASP3 P42574 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 2/20 0.35
NR1I2 O75469 1/20 0.35
PTPRC P08575 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8797621 0.90 BRD4 (0.40) BRD4HPGDCYP17A1MEN1KMT2A
SCHEMBL8798430 0.86 IMPDH2 (0.43) BRD4HPGDCYP17A1MEN1KMT2A
SCHEMBL9230530 0.86 BRD4 (0.44) BRD4HPGDCYP17A1MEN1KMT2A
SCHEMBL8796821 0.85 HTR6 (0.33) HPGDHTR6SLC40A1MAPTALDH1A1
SCHEMBL8799009 0.84 CYP11B1 (0.43) BRD4HPGDCYP17A1LMNAALDH1A1
SCHEMBL9271111 0.76 SMN1; SMN2 (0.48) BRD4HPGDMEN1KMT2AHTR6
SCHEMBL8797518 0.76 METAP2 (0.35) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL8797575 0.75 ABCB1 (0.34) HTR6SLC40A1
SCHEMBL8796995 0.74 CBFB (0.39) NR1I2GAA
SCHEMBL9230527 0.71 IMPDH2 (0.48) BRD4HPGDMEN1KMT2AHTR6

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-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed