SCHEMBL8639348

SCHEMBL8639348

CCn1c(Oc2ccc(Cc3ccccc3)cc2)nc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
RAD52 P43351 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
CNR2 P34972 3/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
BTK Q06187 1/20 0.39
RPS6KA5 O75582 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8637102 0.91 ACSS2 (0.49) KDM4EALDH1A1HTTPOLBGRIN1
SCHEMBL8641198 0.85 LMNA (0.53) KDM4EALDH1A1HTTCNR2TDP1
SCHEMBL8640797 0.73 RAB9A (0.60) KDM4EPOLBLMNATP53MEN1
SCHEMBL5228756 0.72 LMNA (0.55) KDM4ERAD52ALDH1A1HTTLMNA
SCHEMBL8732491 0.69 MAOA (0.68) ALDH1A1GRIN1GRIN2BTDP1MEN1
SCHEMBL6827567 0.68 KDM4E (0.66) KDM4EALDH1A1CNR2TDP1HDAC1
SCHEMBL2123643 0.68 KDM4E (0.48) KDM4ERAD52ALDH1A1HTTCNR2
SCHEMBL617824 0.68 TNF (0.68) KDM4ERAD52ALDH1A1HTTPOLB
SCHEMBL616998 0.68 KDM4E (0.97) KDM4ERAD52ALDH1A1HTTTDP1
SCHEMBL4976587 0.67 KDM4E (0.63) KDM4ERAD52ALDH1A1HTTPOLB

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed