SCHEMBL28048682

SCHEMBL28048682

O=C(NCc1ccc(Cl)cn1)c1c(Cl)ccnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HPGD P15428 5/20 0.45
WDR5 P61964 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6030405 0.80 P2RX7 (0.43) POLBHPGDALDH1A1MAPK1CYP1A2
SCHEMBL28716532 0.74 WDR5 (0.44) POLBHPGDWDR5ALDH1A1CYP1A2
SCHEMBL29493339 0.74 WDR5 (0.44) POLBHPGDWDR5ALDH1A1CYP1A2
SCHEMBL6901764 0.74 P2RX7 (0.40) POLBMAOBNPC1
SCHEMBL30791568 0.73 PTK2 (0.53) POLBWDR5MAOBMAPK1NPSR1
SCHEMBL6480960 0.73 POLB (0.40) POLBHPGDALDH1A1MAPK1CYP1A2
SCHEMBL68385 0.73 POLB (0.40) POLBHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL5565736 0.72 POLB (0.42) POLBHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL29493360 0.71 ADORA2A (0.49)
SCHEMBL6031065 0.70 KMT2A (0.51) ALDH1A1CYP1A2CYP2C19CYP2C9NPSR1

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
CN-102933590-B The trisubstituted silicyl of antifungal N-[() methyl]-carboxamide derivative BAYER CROPSCIENCE AG (DE) 2016-05-18 CN disclosed