SCHEMBL3723047

SCHEMBL3723047

Cc1cccc(C)c1Nc1cc(Cl)nc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
POLA1 P09884 1/20 0.53
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NUDT1 P36639 2/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2D6 P10635 2/20 0.44
AGPAT2 O15120 3/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1193784 0.85 MAPT (0.50) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL3719304 0.83 KMT2A (0.72) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL14050066 0.78 POLA1 (0.61) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL29608945 0.78 POLA1 (0.61) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL18971579 0.76 CHRNA7 (0.47) KMT2ASMN1; SMN2POLBGAANPC1
SCHEMBL3233125 0.75 MAPT (0.70) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL16380596 0.75 POLA1 (0.75) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL1320467 0.75 KMT2A (0.66) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL7741592 0.73 POLA1 (0.62) KMT2APOLA1MAPTSMN1; SMN2POLB
SCHEMBL12346224 0.73 POLA1 (0.62) KMT2APOLA1MAPTSMN1; SMN2POLB

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
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed