SCHEMBL7279147

SCHEMBL7279147

O=C(O)c1ccc(C2=NCCN2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.58
P4HTM Q9NXG6 2/20 0.58
NISCH Q9Y2I1 4/20 0.50
LDHA P00338 2/20 0.50
CYP1A2 P05177 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MIF P14174 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL10424800 0.88 KDM4E (0.48) P4HA1P4HTMNISCHLDHACYP1A2
SCHEMBL14496851 0.77 NISCH (0.62) NISCHCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5879537 0.77 NISCH (0.45) NISCHCYP1A2KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3900407 0.76 NISCH (0.61) NISCHCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL29397057 0.75 P4HTM (1.00) P4HA1P4HTMLDHACYP1A2MIF
SCHEMBL29683317 0.75 P4HTM (1.00) P4HA1P4HTMLDHACYP1A2MIF
SCHEMBL68560 0.75 P4HTM (1.00) P4HA1P4HTMLDHACYP1A2MIF
SCHEMBL5879534 0.75 NISCH (0.43) NISCHCYP1A2KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8204973 0.74 NISCH (0.64) NISCHKDM4EALDH1A1LMNA
SCHEMBL4726421 0.73 NISCH (0.56) NISCHCYP1A2KDM4EALDH1A1CYP3A4

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-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed