SCHEMBL8501113

SCHEMBL8501113

N=C(N)c1ccc(C(N)([C]=O)CC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
PRMT1 Q99873 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 6/20 0.37
PRSS3 P35030 3/20 0.37
PRSS2 P07478 2/20 0.37
F10 P00742 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
LMNA P02545 2/20 0.36
PLAU P00749 2/20 0.36
MASP2 O00187 1/20 0.36
THPO P40225 1/20 0.36
F2 P00734 3/20 0.35
APEX1 P27695 1/20 0.35
PLG P00747 1/20 0.35
C1S P09871 1/20 0.35
ST14 Q9Y5Y6 1/20 0.34

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
SCHEMBL8905131 0.75 MEN1 (0.47) PRMT5PRMT1ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL8500969 0.74 KMT2A (0.46) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL8503418 0.67 MEN1 (0.45) PRMT5PRMT1ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL8497829 0.66 KMT2A (0.44) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL28725485 0.65 LMNA (0.56) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL537030 0.64 LMNA (0.77) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL12248115 0.63 ESR1 (0.52) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL20714999 0.62 PRSS1 (0.44) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL1445807 0.62 PRSS1 (0.53) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL1445939 0.62 PRSS1 (0.48) PRSS1PRSS3PRSS2F10LOXL2

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-5811398-A Platelet aggregation inhibitors containing C-terminal aminergic side chain amino acid residues G. D. SEARLE & CO. (US) 1998-09-22 US claimed
US-5886208-A Substituted B-amino acid derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5811398-A Platelet aggregation inhibitors containing C-terminal aminergic side chain amino acid residues G. D. SEARLE & CO. (US) 1998-09-22 US disclosed