SCHEMBL9433677

SCHEMBL9433677

N#Cc1c(/C=C/C(=O)Cl)cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
PTGER4 P35408 1/20 0.41
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BIRC5 O15392 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL9433685 1.00 PTGER1 (0.41) PTGER1PTGER3PTGER2PTGER4PDCD1
SCHEMBL1451542 0.90 PTGER3 (0.50) PTGER1PTGER3PTGER2PTGER4PDCD1
SCHEMBL4287188 0.90 PTGER3 (0.50) PTGER1PTGER3PTGER2PTGER4PDCD1
Hydrochloric Acid SCHEMBL9433691 0.88 PTGER3 (0.49) PTGER1PTGER3PTGER2PTGER4PDCD1
SCHEMBL8415409 0.87 PTPN1 (0.41) PTGER1PTGER3PTGER2PTGER4PDCD1
SCHEMBL8415411 0.87 PTPN1 (0.41) PTGER1PTGER3PTGER2PTGER4PDCD1
SCHEMBL6835913 0.82 BACE1 (0.55) PTGER1PTGER3PTGER2PTGER4BACE1
SCHEMBL6835912 0.82 BACE1 (0.55) PTGER1PTGER3PTGER2PTGER4BACE1
SCHEMBL7567950 0.82 HPGD (0.51) PDCD1CD274BACE1ALDH1A1SMN1; SMN2
SCHEMBL39304 0.80 ALDH1A1 (0.48) PDCD1CD274ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298647-A Aromatic compounds of amide structure derived from aminobenzoic acids, hydroxy-benzoic acids, cinnamic acids, urocanic acids and benzimidazoles, absorbing UVB and/or UVA ROBERT DOMINIQUE (FR) 1994-03-29 US disclosed