SCHEMBL14495656

SCHEMBL14495656

O=C(O)CNc1ncccc1NI

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.42
FTO Q9C0B1 1/20 0.42
SHMT2 P34897 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DHODH Q02127 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHEK1 O14757 1/20 0.36
EGFR P00533 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14495658 0.80 PLAU (0.47) POLBMEN1KMT2AEGLN1ALDH1A1
SCHEMBL15119425 0.77 EGLN2 (0.44) EGLN2FTOHTTMEN1KMT2A
SCHEMBL2179962 0.77 DHODH (0.58) HTTMEN1KMT2ADHODHKDM4E
SCHEMBL1669341 0.77 SHMT2 (0.45) EGLN2FTOSHMT2EGLN1DHODH
SCHEMBL4712895 0.74 ALDH1A1 (0.66) EGLN2FTOHTTMEN1KMT2A
SCHEMBL5512445 0.74 L3MBTL1 (0.47) EGLN2FTOPOLBHTTMEN1
SCHEMBL13978034 0.73 KDM4E (0.53) EGLN2FTOSHMT2POLBKMT2A
SCHEMBL4543587 0.73 RAB9A (0.54) EGLN2FTOPOLBHTTMEN1
SCHEMBL31300330 0.73 NAPRT (0.49) EGLN2FTOSHMT2POLBHTT
SCHEMBL4200887 0.73 P2RX7 (0.47) EGLN2FTOSHMT2POLBHTT

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
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO disclosed