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
SCHEMBL49952 0.89 ALDH1A1 (0.70) MAPTRAB9ANPC1ALDH1A1PBRM1
SCHEMBL2610307 0.89 ALDH1A1 (0.70) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28612928 0.87 ALDH1A1 (0.67) MAPTRAB9ANPC1ALDH1A1PBRM1
Bicarbonate SCHEMBL27627699 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
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