SCHEMBL8402387

SCHEMBL8402387

NN=Cc1ccc(C(=O)C2(CC(=O)O)CCCc3ccccc3N2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL8519840 0.77 MAPT (0.40) MAPTALDH1A1MEN1KMT2ASLC6A2
SCHEMBL8518894 0.75 BRD4 (0.31)
SCHEMBL8401237 0.73 CACNA1G (0.35) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8398839 0.71 PARP1 (0.41) MAPTALDH1A1KDM4ELMNATSHR
SCHEMBL8402381 0.67 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8402362 0.66 PARP1 (0.40) ALDH1A1HPGD
SCHEMBL8897186 0.65 HDAC1 (0.35) MAPTALDH1A1MEN1KMT2ACA1
SCHEMBL7322038 0.64 KDM4E (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7322751 0.63 KDM4E (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7315913 0.63 KDM4E (0.43) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US claimed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed