SCHEMBL5879596

SCHEMBL5879596

Cc1cc2nc(-c3ccc(CN)cc3)[nH]c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.58
HPSE Q9Y251 1/20 0.57
GUSB P08236 11/20 0.54
NT5E P21589 1/20 0.51
CHEK2 O96017 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
AMY1A P0DUB6 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
APEX1 P27695 1/20 0.48

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
SCHEMBL24074249 0.86 HPSE (0.58) NPBWR1HPSEGUSBCHEK2KDM4E
SCHEMBL13373255 0.83 NPBWR1 (0.43) NPBWR1HPSEGUSBKDM4EMEN1
SCHEMBL6325549 0.83 ALDH1A1 (0.68) NPBWR1HPSEGUSBNT5EKDM4E
SCHEMBL25722414 0.82 HPSE (0.64) NPBWR1HPSEGUSBCHEK2MEN1
SCHEMBL24619180 0.81 NPBWR1 (0.50) NPBWR1NT5ECHEK2KDM4EMEN1
SCHEMBL3333916 0.80 GUSB (0.79) NPBWR1HPSEGUSBCHEK2KDM4E
SCHEMBL24075313 0.80 HPSE (0.61) HPSEGUSBKDM4EALDH1A1MAPT
SCHEMBL7393557 0.80 GUSB (0.79) NPBWR1HPSEGUSBAMY1AGAA
SCHEMBL3337332 0.79 METAP2 (0.62) HPSEGUSBKDM4EMEN1ALDH1A1
SCHEMBL28179657 0.79 HPSE (0.60) HPSEGUSBAMY1A

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