SCHEMBL8402425

SCHEMBL8402425

CN1c2cccc(-c3ccc(C=NN)cc3)c2C(=C=O)N(CCc2ccccc2)C(=O)C1(N)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
PARK7 Q99497 3/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
USP2 O75604 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL8401353 0.91 CCKBR (0.32) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8519054 0.82 ALDH1A1 (0.33) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8398754 0.77 S1PR1 (0.32)
SCHEMBL8398963 0.76 ALDH1A1 (0.35) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8898197 0.72 CCKBR (0.35) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8402364 0.72 ALDH1A1 (0.38) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8897087 0.66 ALDH1A1 (0.35) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8401296 0.65 ALDH1A1 (0.34) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL7395503 0.65 ALDH1A1 (0.37) ALDH1A1PARK7ALDH2ALDH3A1MAPT
SCHEMBL8519716 0.64 ALDH1A1 (0.36) ALDH1A1PARK7ALDH2ALDH3A1MAPT

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