SCHEMBL7530249

SCHEMBL7530249

CC(=O)CC(=O)Nc1ccc2ccccc2c1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 3/20 0.41
ACP1 P24666 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
TSHR P16473 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL5173798 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2KDM4EKMT2AMAPT
SCHEMBL11782363 0.81 CYP1A2 (0.47) ALDH1A1CYP2C19CYP1A2KDM4EMEN1
SCHEMBL9338070 0.81 CYP2D6 (0.48) ALDH1A1CYP2C19CYP1A2KDM4EMEN1
SCHEMBL19000854 0.80 EPHX1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13688803 0.79 CYP1A2 (0.39) ALDH1A1CYP2C19CYP1A2KDM4EMEN1
SCHEMBL13688799 0.78 CYP1A2 (0.43) ALDH1A1CYP2C19CYP1A2KDM4EMEN1
SCHEMBL11442245 0.78 MEN1 (0.48) ALDH1A1CYP2C19CYP1A2KDM4EMEN1
SCHEMBL6362894 0.77 KDM4E (0.47) ALDH1A1KDM4EKMT2ACA1CA2
SCHEMBL6363324 0.77 LMNA (0.44) ALDH1A1MEN1KMT2ACYP2D6HPGD
SCHEMBL7530630 0.77 MAPT (0.66) ALDH1A1CYP2C19CYP1A2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328587-B1 MONOAZOQUINOLONE PIGMENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF SE (DE) 2011-04-20 EP disclosed
EP-0823459-B1 Disazo pigment composition and printing ink DAINIPPON INK & CHEMICALS (JP) 2002-04-17 EP disclosed
US-5803962-A Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-08 US disclosed
EP-0823459-A2 Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-11 EP disclosed
US-4254025-A Disazo and polyazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-03-03 US disclosed