SCHEMBL5879537

SCHEMBL5879537

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.45
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 3/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.38
UBE2N P61088 1/20 0.38
PAX8 Q06710 1/20 0.38
PMP22 Q01453 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL7279147 0.77 P4HA1 (0.58) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL24405932 0.71 NISCH (0.45) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL5879534 0.70 NISCH (0.43) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL4726421 0.69 NISCH (0.56) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL10424800 0.68 KDM4E (0.48) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL20576848 0.67 OXTR (0.41) KDM4EALDH1A1ALOX15
SCHEMBL27663663 0.67 GABRP (0.48) KDM4EALDH1A1
SCHEMBL5879623 0.66 NISCH (0.51) NISCHCYP1A2KDM4EPDCD1LG2CD274
SCHEMBL2767198 0.65 KCNH2 (0.37) KDM4EALDH1A1ALOX15
SCHEMBL17544162 0.65 OXTR (0.37) KDM4EALDH1A1ALOX15

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed