SCHEMBL7043674

SCHEMBL7043674

COc1cccc2c1C(=C(C#N)C#N)CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
TOP1 P11387 1/20 0.43
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
POLL Q9UGP5 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
DUSP3 P51452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7047198 0.87 MEN1 (0.40) MEN1KMT2ACA1CA2CA7
SCHEMBL7047140 0.81 ALDH1A1 (0.49) EGFRALDH1A1MAPTLMNAKDM4E
SCHEMBL7044988 0.78 KMT2A (0.34) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL7051094 0.78 CA1 (0.39) MEN1KMT2ACA1CA2CA7
SCHEMBL7047320 0.78 CA1 (0.39) MEN1KMT2ACA1CA2CA7
SCHEMBL7049982 0.74 MAOA (0.49) ALDH1A1KDM4ERAB9A
SCHEMBL7051549 0.73 MAPT (0.61) MEN1KMT2ACA1CA2CA7
SCHEMBL806906 0.73 MAPT (0.38) MEN1KMT2AEGFRPIM1ALDH1A1
SCHEMBL29444282 0.73 MAPT (0.38) MEN1KMT2AEGFRPIM1ALDH1A1
SCHEMBL7050811 0.72 TDP2 (0.42) MEN1KMT2AEGFRALDH1A1LMNA

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-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed