SCHEMBL8519840

SCHEMBL8519840

NN=Cc1ccc(C2(CC(=O)O)CCCc3ccccc3N2C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 4/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 4/20 0.32
HTT P42858 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL8402387 0.77 MAPT (0.37) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL8402372 0.75 CASP1 (0.33) L3MBTL1
SCHEMBL8518894 0.66 BRD4 (0.31)
SCHEMBL20137423 0.61 KDM1A (0.46) MEN1KMT2ATP53
SCHEMBL28901494 0.61 KDM1A (0.46) MEN1KMT2ATP53
SCHEMBL29746165 0.60 SMN1; SMN2 (0.39) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL29746540 0.60 NOTUM (0.43) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL20502783 0.58 MEN1 (0.45) L3MBTL1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3120560 0.57 SMN1; SMN2 (0.74) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL29640094 0.57 SMN1; SMN2 (0.74) MAPTALDH1A1KDM4EHPGDMEN1

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-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