SCHEMBL8401353

SCHEMBL8401353

CN1c2cccc(-c3ccc(C=NN)cc3)c2C(=C=O)N(CCc2ccccc2)C(=O)C1(N)CC(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
ALDH1A1 P00352 4/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 1/20 0.31
PARK7 Q99497 1/20 0.31
CTRB1 P17538 1/20 0.31
MAPT P10636 3/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL8402425 0.91 ALDH1A1 (0.34) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL8519054 0.76 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL8398963 0.69 ALDH1A1 (0.35) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL8398754 0.69 S1PR1 (0.32)
SCHEMBL8402364 0.69 ALDH1A1 (0.38) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL8898197 0.66 CCKBR (0.35) CCKBRALDH1A1ALDH2ALDH3A1PARK7
SCHEMBL8401296 0.65 ALDH1A1 (0.34) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL8897087 0.60 ALDH1A1 (0.35) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL7395503 0.59 ALDH1A1 (0.37) ALDH1A1ALDH2ALDH3A1PARK7MAPT
SCHEMBL20083679 0.57 ALDH1A1 (0.63) ALDH1A1CTRB1MAPTMEN1KMT2A

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