SCHEMBL14720172

SCHEMBL14720172

O=C(O)Nc1n[nH]c(O)c1Cc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NR3C1 P04150 1/20 0.38
P2RX7 Q99572 5/20 0.37
BDKRB1 P46663 2/20 0.36
AKR1B1 P15121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14728435 0.83 REN (0.42) MEN1KMT2AP2RX7POLB
SCHEMBL14720231 0.76 PNMT (0.43) MEN1KMT2ASMN1; SMN2NR3C1AKR1B1
SCHEMBL14720153 0.76 KMT2A (0.41) MEN1KMT2ASMN1; SMN2NPSR1NR3C1
SCHEMBL15844226 0.73 NR3C1 (0.37) MEN1KMT2ASMN1; SMN2NPSR1NR3C1
SCHEMBL27873445 0.68 TSHR (0.61) MEN1KMT2ASMN1; SMN2NPSR1NR3C1
SCHEMBL14720127 0.65 PNMT (0.43) SMN1; SMN2NR3C1P2RX7AKR1B1
SCHEMBL14720422 0.64 PNMT (0.46) SMN1; SMN2NR3C1AKR1B1ALDH1A1
SCHEMBL3302008 0.63 PNMT (0.68) MEN1KMT2AALDH1A1POLB
SCHEMBL14720145 0.63 PNMT (0.41) SMN1; SMN2NR3C1AKR1B1
SCHEMBL2547244 0.63 AKR1B1 (0.63) SMN1; SMN2NPSR1AKR1B1

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-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed