SCHEMBL11629162

SCHEMBL11629162

CCNC(=O)CNc1ccc(N=C2C=C(NC(C)=O)C(=O)C=C2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA7 P43166 4/20 0.33
▸ MAPT P10636 7/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NLRP1 Q9C000 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 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
SCHEMBL12332823 0.89 ADRA2A (0.38) MAPTGAAALDH1A1KMT2ANPC1
SCHEMBL11627741 0.89 CA12 (0.36) CA12CA1CA2CA7MAPT
SCHEMBL11626450 0.80 MAPT (0.32) CA12CA1CA2CA7MAPT
SCHEMBL10535543 0.78 CA12 (0.34) CA12CA1CA2CA7MAPT
SCHEMBL11410522 0.78 MAPT (0.44) CA12CA1CA2CA7MAPT
SCHEMBL10784128 0.77 NPC1 (0.36) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL260979 0.77 ALDH1A1 (0.40) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL11330897 0.75 PABPC1 (0.53) CA12CA2MAPTKDM4EGAA
SCHEMBL11252143 0.74 PGK1 (0.40) CA1CA2MAPTKDM4EGAA
SCHEMBL11410978 0.73 PABPC1 (0.37) MAPTKDM4EGAAKMT2ANPC1

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-4093806-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-4046786-A HAIR DYES L'OREAL (FR) 1977-09-06 — — US disclosed
Send feedback