SCHEMBL8185705

SCHEMBL8185705

COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CCN(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NR1H4 Q96RI1 4/20 0.47
DHODH Q02127 3/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
KDR P35968 1/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL8184192 0.94 NR1H4 (0.45) MEN1KMT2ANR1H4DHODHMAPT
Hydrochloric Acid SCHEMBL8187880 0.93 NR1H4 (0.45) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL7797955 0.85 ALDH1A1 (0.48) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL7801359 0.84 ABHD6 (0.46) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL7993333 0.83 NR1H4 (0.45) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL8185689 0.83 NR1H4 (0.46) MEN1KMT2ANR1H4DHODHMAPT
Hydrochloric Acid SCHEMBL7797660 0.82 NR1H4 (0.45) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL6295054 0.81 GPR6 (0.47) MEN1KMT2ANR1H4DHODHMAPT
SCHEMBL8176766 0.80 ALDH1A1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8184284 0.80 ALDH1A1 (0.49) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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