SCHEMBL11083797

SCHEMBL11083797

COc1cc(N)ccc1NCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.49
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38

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
SCHEMBL11338267 0.88 RAD52 (0.51) GAAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL14453287 0.78 MAPT (0.52) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL9499966 0.78 GAA (0.47) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL16592515 0.76 GAA (0.59) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2071884 0.76 GAA (0.59) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6353701 0.76 MAPT (0.59) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL24714329 0.75 MAPT (0.57) GAAMAPTSMN1; SMN2ALDH1A1TSHR
Sulfuric Acid SCHEMBL9680698 0.75 GAA (0.43) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL25091235 0.74 MAPT (0.51) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL9499986 0.74 PTGER4 (0.49) GAAMAPTSMN1; SMN2ALDH1A1NPC1

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-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 — — US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 — — US disclosed
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