SCHEMBL11234640

SCHEMBL11234640

NC(Oc1ccccc1)C(O)CCCNc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ICMT O60725 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 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
SCHEMBL11237839 0.89 MAPT (0.40) MEN1KMT2AATMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11236943 0.88 MAPT (0.39) MEN1KMT2AATMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11230532 0.87 MAPT (0.46) SLC6A4ALDH1A1HTTL3MBTL1PPARG
SCHEMBL11246095 0.82 RAB9A (0.46) MEN1KMT2AATMALDH1A1ICMT
SCHEMBL11230239 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1ABCG2
Hydrochloric Acid SCHEMBL11247369 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1L3MBTL1ABCG2
SCHEMBL11237796 0.80 GAA (0.43) MEN1KMT2ASLC6A4ALDH1A1HTT
SCHEMBL11233874 0.80 SLC6A4 (0.39) MEN1KMT2ASLC6A4ALDH1A1KDM4E
SCHEMBL11240133 0.79 CTSK (0.49) ALDH1A1PPARGMAPTNPC1RAB9A
SCHEMBL11244735 0.77 TSHR (0.36) KMT2ASLC6A4PPARGPPARALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed