SCHEMBL9878068

SCHEMBL9878068

COCc1cc(=O)[nH]c(Nc2ccccc2C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.60
HIF1A Q16665 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.60
CREBBP Q92793 1/20 0.55
AGTR1 P30556 1/20 0.55
OPRK1 P41145 1/20 0.55
MDM2 Q00987 1/20 0.55
POLB P06746 2/20 0.53
NAMPT P43490 1/20 0.53
CXCR2 P25025 1/20 0.53
CYP1A2 P05177 1/20 0.52
ALPL P05186 1/20 0.52

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
SCHEMBL9879803 0.85 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9879088 0.83 GAA (0.75) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL9879098 0.82 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9879486 0.79 KMT2A (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9878625 0.79 POLB (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9878974 0.77 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9879392 0.77 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9878755 0.72 SLC2A1 (0.46) MEN1KMT2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL9878693 0.71 SLC2A1 (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9878282 0.71 NPC1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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