SCHEMBL13626299

SCHEMBL13626299

CC(=O)NC(C)(C)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12666543 0.84 MEN1 (0.41) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL12674134 0.81 KDM4E (0.40) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL7769259 0.81 KMT2A (0.42) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL9812553 0.75 ALDH1A1 (0.38) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL9812559 0.73 MAPT (0.38) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL28968872 0.72 MAPT (0.42) KMT2AMEN1MAPTRAB9ASMN1; SMN2
Bicarbonate SCHEMBL28968865 0.71 MAPT (0.49) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL27964089 0.71 MAPT (0.44) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL28529969 0.71 KMT2A (0.46) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL9402238 0.71 MAPT (0.44) KMT2AMEN1MAPTRAB9AGAA

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-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed