SCHEMBL8637102

SCHEMBL8637102

CCn1c(Oc2ccc(Cc3ccccc3)cc2)nc2ccc(N)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 7/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
LTA4H P09960 1/20 0.39
HPGD P15428 1/20 0.39
CHEK2 O96017 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
SCHEMBL8639348 0.91 KDM4E (0.49) ACSS2GRIN1GRIN2BKDM4EMAPT
SCHEMBL8641198 0.85 LMNA (0.53) KDM4EGAAMAPTPKMTDP1
SCHEMBL8640797 0.73 RAB9A (0.60) ACSS2KDM4EGAAMAPTPKM
SCHEMBL8732491 0.69 MAOA (0.68) GRIN1GRIN2BGAAMAPTTDP1
SCHEMBL17487719 0.68 NPC1 (0.59) GAAMAPTPKMALDH1A1POLB
SCHEMBL615476 0.68 TNF (0.68) ACSS2KDM4EBRD4ALDH1A1TP53
SCHEMBL615475 0.68 KDM4E (0.73) ACSS2KDM4EGAAMAPTTDP1
SCHEMBL17487335 0.67 KDM4E (0.46) GRIN1GRIN2BKDM4EALDH1A1HTT
SCHEMBL17263072 0.66 ACSS2 (1.00) ACSS2
SCHEMBL7453184 0.66 GRIN1 (1.00) GRIN1GRIN2BKDM4EGAAMAPT

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