SCHEMBL9765224

SCHEMBL9765224

COc1ccc(C)cc1-n1[nH]c(C)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 6/20 0.44
MEN1 O00255 1/20 0.44
METAP2 P50579 1/20 0.44
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALPL P05186 2/20 0.39
ENPP3 O14638 1/20 0.39
XIAP P98170 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 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
SCHEMBL10887314 0.86 ALDH1A1 (0.63) ALDH1A1MAPTGAALMNAHTT
SCHEMBL9814732 0.84 KDM4E (0.48) ALDH1A1MAPTGAALMNAHTT
SCHEMBL5528033 0.83 ALDH1A1 (0.62) ALDH1A1MAPTGAALMNAHTT
SCHEMBL30775588 0.76 MAPT (0.67) ALDH1A1MAPTGAALMNAHTT
SCHEMBL29140301 0.76 MAPT (0.67) ALDH1A1MAPTGAALMNAHTT
SCHEMBL30057806 0.71 LMNA (0.48) ALDH1A1MAPTGAALMNAHTT
SCHEMBL486125 0.71 MAPT (0.73) ALDH1A1MAPTGAALMNAHTT
SCHEMBL14366663 0.70 MGLL (0.61) ALDH1A1MAPTGAALMNAKDM4E
SCHEMBL10651976 0.70 ALDH1A1 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL486624 0.69 MAPT (1.00) ALDH1A1MAPTGAALMNAHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260557-B1 ASYMMETRIC 1:2 METAL COMPLEX DYESTUFS BAYER AG (DE) 1991-11-27 EP disclosed
EP-0267385-B1 ASYMMETRIC 1:2-CHROMIUM COMPLEX DYESTUFFS BAYER AG (DE) 1991-10-09 EP disclosed
EP-0267385-A2 Asymmetric 1:2-chromium complex dyestuffs BAYER AG (DE) 1988-05-18 EP disclosed
EP-0260557-A2 Asymmetric 1:2 metal complex dyestufs BAYER AG (DE) 1988-03-23 EP disclosed
EP-0072501-B1 ASYMMETRIC 1:2 CHROMIUM-COMPLEX DYESTUFFS BAYER AG (DE) 1986-12-03 EP disclosed
US-4029643-A Chromium containing azo dyes NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1977-06-14 US disclosed