SCHEMBL9850002

SCHEMBL9850002

COC(=O)c1ccc(CCCc2c(N)nc(N)nc2O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
FOLR1 P15328 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
DHFR P00374 3/20 0.36
PARP1 P09874 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PRNP P04156 1/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC46A1 Q96NT5 1/20 0.33

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
SCHEMBL9849931 0.98 HPGD (0.43) HPGDFOLR1MRGPRX4DHFRPARP1
SCHEMBL9849766 0.97 HPGD (0.44) HPGDFOLR1MRGPRX4DHFRPARP1
SCHEMBL9849692 0.93 MRGPRX4 (0.38) HPGDFOLR1MRGPRX4DHFRPARP1
SCHEMBL9849753 0.88 FOLR1 (0.47) FOLR1DHFRLMNAALDH1A1PRNP
SCHEMBL9849759 0.85 FOLR1 (0.44) HPGDFOLR1DHFRLMNAATM
SCHEMBL9850018 0.84 FOLR1 (0.43) HPGDFOLR1DHFRLMNAALDH1A1
SCHEMBL9849706 0.81 DHFR (0.34) HPGDDHFRNPSR1LMNAPPARG
SCHEMBL9849782 0.80 FOLR1 (0.41) FOLR1MRGPRX4DHFRLMNAATM
SCHEMBL9850059 0.78 FOLR2 (0.39) FOLR1DHFRSLC46A1
SCHEMBL9849619 0.77 DHFR (0.33) DHFRLMNAL3MBTL1ALDH1A1SLC2A1

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
EP-0415510-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-03-06 EP disclosed
US-4920125-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-04-24 US disclosed