SCHEMBL11074597

SCHEMBL11074597

CC(=O)Nc1cc(NC(=O)c2nnn[nH]2)c(O)c(C(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ HDAC1 Q13547 2/20 0.30
▸ TP53 P04637 1/20 0.30

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
Eflumast SCHEMBL1230501 0.85 PKM (0.32) GAACCNA2CDK2CCNA1NPC1
SCHEMBL10516283 0.85 CYP1A2 (0.37) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL11072324 0.84 CYP1A2 (0.30) GAA
SCHEMBL11067331 0.84 MEN1 (0.35) LMNAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11065854 0.83 — —
SCHEMBL11076161 0.82 CYP1A2 (0.36) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL10513959 0.82 LMNA (0.32) LMNAGAA
SCHEMBL11069754 0.81 CSNK2A1 (0.33) ALDH1A1NPC1
SCHEMBL10513044 0.81 TTR (0.35) MEN1KMT2A
SCHEMBL11073859 0.80 AKR1B1 (0.42) LMNAGAAALDH1A1MEN1KMT2A

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US claimed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US disclosed
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