SCHEMBL8986966

SCHEMBL8986966

COc1ccc(-c2cc(=O)[nH]c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
KMT2A Q03164 5/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.55
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
MAPT P10636 2/20 0.53
ADORA3 P0DMS8 1/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL31677372 1.00 KDM4E (0.71) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL8987324 0.85 HPGD (0.68) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL30283788 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL2798115 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL7523167 0.83 ALDH1A1 (0.78) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL30175823 0.82 MEN1 (0.69) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8986955 0.82 HPGD (0.74) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL29612166 0.81 HPGD (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL28133652 0.81 HPGD (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL1173520 0.81 HPGD (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574130-A ENDCAPPED BY REACTION WITH POLYISOCYANATE, PREPARATION OF COMB TYPE POLYURETHANES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US 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