SCHEMBL9879486

SCHEMBL9879486

Cc1cc(=O)[nH]c(Nc2ccccc2C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 1/20 1.00
TAAR1 Q96RJ0 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
RECQL P46063 1/20 0.55
GAA P10253 3/20 0.54
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.52
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
JMJD6 Q6NYC1 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9879392 0.85 KMT2A (0.74) KMT2AMEN1TAAR1NCOA1NCOA3
SCHEMBL15201247 0.81 KMT2A (0.68) KMT2AMEN1TAAR1NCOA1NCOA3
SCHEMBL9879088 0.80 GAA (0.75) KMT2AMEN1GAAHTTMAPT
SCHEMBL4471232 0.80 KMT2A (0.67) KMT2AMEN1TAAR1NCOA1NCOA3
SCHEMBL9879098 0.79 MEN1 (0.65) KMT2AMEN1RECQLGAAHTT
SCHEMBL9878068 0.79 MEN1 (0.65) KMT2AMEN1GAANPC1MAPT
SCHEMBL9879379 0.78 MEN1 (0.64) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL15201279 0.76 ALDH1A1 (0.62) KMT2AMEN1TAAR1NCOA1NCOA3
SCHEMBL31436032 0.76 NPC1 (0.67) KMT2AMEN1TAAR1NCOA1NCOA3
SCHEMBL9879390 0.76 MEN1 (0.61) KMT2AMEN1GAANPC1HTT

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-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed