SCHEMBL11066398

SCHEMBL11066398

CC(=O)Nc1cc(N)c(O)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ MB P02144 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX5AP P20292 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
SCHEMBL21487494 0.79 LMNA (0.50) LMNAALDH1A1GAATDP1CA12
SCHEMBL10882803 0.79 LMNA (0.50) LMNAALDH1A1GAATDP1CA12
SCHEMBL8980390 0.76 ALDH1A1 (0.53) ALDH1A1TDP1CA12CA1CA2
SCHEMBL11037405 0.76 CA2 (0.49) LMNAALDH1A1GAATDP1CA12
SCHEMBL5677351 0.76 ENPP2 (0.49) LMNAALDH1A1GAATDP1CA12
SCHEMBL14458139 0.75 MEN1 (0.48) LMNAALDH1A1GAATDP1MEN1
SCHEMBL6777847 0.73 HTT (0.52) LMNAALDH1A1GAATDP1MEN1
SCHEMBL8423468 0.73 GPR35 (0.54) LMNAALDH1A1GAATDP1CA12
SCHEMBL3661233 0.73 KDM4E (0.54) LMNAALDH1A1GAATDP1MEN1
SCHEMBL9525976 0.73 LMNA (0.52) LMNAALDH1A1GAATDP1CA12

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