SCHEMBL8762019

SCHEMBL8762019

BrC(Br)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOB P27338 3/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
BCHE P06276 1/20 0.55
LTA4H P09960 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53

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
SCHEMBL6616547 0.85 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2032112 0.84 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28409723 0.84 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL824976 0.84 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL824953 0.84 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.83 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.83 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL903779 0.83 KMT2A (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11490483 0.82 NR4A1 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7331392 0.82 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP disclosed