SCHEMBL8799476

SCHEMBL8799476

O=c1cc(-c2ccccc2)cc(-c2cccs2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PIM1 P11309 3/20 0.44
PARP1 P09874 1/20 0.44
PTGER2 P43116 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9522651 0.89 CYP2E1 (0.42) KDM4EPIM1PARP1PTGER2MEN1
SCHEMBL4408790 0.87 TAS2R38 (0.47) KDM4EPARP1MEN1KMT2AMAPT
SCHEMBL16296698 0.83 PIM1 (0.59) KDM4EPIM1MEN1KMT2ARAB9A
SCHEMBL6756097 0.79 TAS2R38 (0.60) KDM4ERAB9AMAPTHPGDALDH1A1
SCHEMBL3595434 0.78 TOP1 (0.56) KDM4EPIM1PARP1PTGER2RAB9A
SCHEMBL8987160 0.74 CYP2E1 (0.53) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL17548487 0.73 TAS2R38 (0.54) KDM4EPIM1PARP1PTGER2MEN1
SCHEMBL28043530 0.73 KDM4E (0.54) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL28606824 0.72 NOTUM (0.48) KDM4EPIM1PARP1MEN1KMT2A
SCHEMBL3730707 0.70 NOTUM (0.68) KDM4EMAPTHPGDALDH1A1NOTUM

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
CN-1145619-A Substituted pyridine leukotriene B4 antagonists HOFFMANN LA ROCHE (CH) 1997-03-19 CN disclosed
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed