SCHEMBL9879803

SCHEMBL9879803

Cc1ccccc1Nc1nc(COCc2ccccc2)cc(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 4/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
HIF1A Q16665 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
CXCR2 P25025 1/20 0.45
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALPL P05186 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL9878625 0.92 POLB (0.53) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL9879098 0.85 MEN1 (0.65) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL9878068 0.85 MEN1 (0.65) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL9879088 0.79 GAA (0.75) MEN1KMT2AGAAMAPTNAMPT
SCHEMBL18003531 0.79 SMN1; SMN2 (0.51) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL9879389 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9879486 0.76 KMT2A (1.00) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL9878778 0.74 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9878910 0.74 NPC1 (0.44) KMT2AGAASMN1; SMN2LMNANPC1
Hydrochloric Acid SCHEMBL9878966 0.74 SLC2A1 (0.44) KMT2AGAAMAPTSMN1; SMN2LMNA

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