SCHEMBL8189643

SCHEMBL8189643

COc1cc(C2=NN2C(F)(F)F)ccc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LCK P06239 1/20 0.37
MAP3K5 Q99683 1/20 0.37
KLKB1 P03952 1/20 0.37
KDR P35968 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAP4K1 Q92918 1/20 0.37
GPX4 P36969 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
F10 P00742 1/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL8176086 0.85 MAPT (0.45) MEN1KMT2AMAPK1SMN1; SMN2USP2
SCHEMBL8176766 0.81 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2GPX4MAPT
SCHEMBL8184192 0.81 NR1H4 (0.45) MEN1KMT2AKDRMAPK1SMN1; SMN2
SCHEMBL8184224 0.81 MEN1 (0.44) MEN1KMT2AMAP3K5KLKB1KDR
SCHEMBL8189042 0.81 MEN1 (0.53) MEN1KMT2AKDRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8184284 0.81 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2GPX4MAPT
SCHEMBL7109075 0.80 MAPT (0.50) MEN1KMT2AMAP3K5MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8187880 0.80 NR1H4 (0.45) MEN1KMT2AKDRMAPK1SMN1; SMN2
SCHEMBL8175630 0.79 RAB9A (0.56) MEN1KMT2AMAPK1SMN1; SMN2RXFP1
SCHEMBL8185113 0.79 MAPK1 (0.47) MEN1KMT2AMAPK1SMN1; SMN2RXFP1

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
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed