SCHEMBL8943271

SCHEMBL8943271

CC(=O)c1ccc(N)cc1.Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
PBRM1 Q86U86 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 1/20 0.54
SRD5A2 P31213 1/20 0.54
ELANE P08246 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.47

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
Acetophenone SCHEMBL28341606 0.94 MAPT (0.64) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Acetophenone SCHEMBL28377473 0.92 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2610307 0.89 ALDH1A1 (0.70) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL49952 0.89 ALDH1A1 (0.70) MAPTRAB9ANPC1ALDH1A1PBRM1
Bicarbonate SCHEMBL27627699 0.87 ALDH1A1 (0.67) MAPTRAB9ANPC1ALDH1A1PBRM1
Ammonia Solution, Strong SCHEMBL28612928 0.87 ALDH1A1 (0.67) MAPTRAB9ANPC1ALDH1A1PBRM1
Hydrochloric Acid SCHEMBL8746067 0.87 ALDH1A1 (0.67) MAPTRAB9ANPC1ALDH1A1PBRM1
Benzophenone SCHEMBL2882532 0.87 ALDH1A1 (0.74) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Trimethylammonium SCHEMBL27581003 0.86 HPGD (0.62) MAPTRAB9ANPC1ALDH1A1PBRM1
Nitrogen SCHEMBL261314 0.85 ALDH1A1 (0.64) MAPTRAB9ANPC1ALDH1A1PBRM1

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
EP-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 EP disclosed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 WO disclosed