SCHEMBL11257643

SCHEMBL11257643

CC(C(=O)O)c1cccc2c(-c3ccc(N(C)C)cc3)nccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CNR2 P34972 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SMO Q99835 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MMP16 P51512 1/20 0.34

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
SCHEMBL11254442 0.88 KDM4E (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11256929 0.86 RAB9A (0.40) SMOMMP1MMP2MMP9MMP8
SCHEMBL11255431 0.85 SELPLG (0.44) LMNACYP3A4CYP2C9
SCHEMBL11259590 0.85 TRPV1 (0.37) MMP1MMP2MMP9MMP8MMP12
SCHEMBL11257836 0.85 BCHE (0.41) SMOMMP1MMP2MMP9MMP8
SCHEMBL11262913 0.85 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11257378 0.83 MMP2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11263420 0.83 HSP90AA1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11262890 0.80 CNR2 (0.38) CNR2MMP1MMP2MMP9MMP8
SCHEMBL11260894 0.79 SYK (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed