SCHEMBL6980046

SCHEMBL6980046

Cc1cccc(N2CCN(C(N)=O)CC2)c1C.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
F10 P00742 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 8/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.39
F2 P00734 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
C1S P09871 1/20 0.38

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
SCHEMBL6975715 0.94 F10 (0.42) F10MAPTNPSR1ALDH1A1F2
SCHEMBL6979702 0.91 F10 (0.42) F10SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8124012 0.90 F10 (0.42) F10MAPTALDH1A1F2C1S
SCHEMBL6983358 0.89 POLB (0.43) F10SMN1; SMN2LMNATSHRMAPT
SCHEMBL6982494 0.89 C1S (0.41) F10SMN1; SMN2LMNATSHRMAPT
SCHEMBL6979694 0.89 F10 (0.42) F10SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6985250 0.89 F10 (0.42) F10SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL6983152 0.88 F10 (0.43) F10SMN1; SMN2LMNATSHRMAPT
SCHEMBL6983673 0.88 HTR1A (0.47) F10TSHRKMT2AMEN1POLB
SCHEMBL6984824 0.87 F10 (0.50) F10LMNATSHRMAPTHTT

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
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO disclosed