SCHEMBL9550547

SCHEMBL9550547

CC(=CC(=O)c1ccc(Cl)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 4/20 0.45
CYP2C9 P11712 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3188558 0.85 ALDH1A1 (0.51) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL3188566 0.85 ALDH1A1 (0.51) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL11154856 0.83 ALDH1A1 (0.54) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL11154858 0.83 ALDH1A1 (0.54) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL3794069 0.81 NFE2L2 (0.55) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL3794074 0.81 NFE2L2 (0.55) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL11711494 0.79 ALDH1A1 (0.50) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL11822730 0.79 ALDH1A1 (0.53) ALDH1A1POLBGAACYP1A2CYP2C19
SCHEMBL11822738 0.79 ALDH1A1 (0.53) ALDH1A1POLBGAACYP1A2CYP2C19
Bromide SCHEMBL11813070 0.77 ALDH1A1 (0.51) ALDH1A1POLBGAACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250393-A Containing diazo resin and alkali metal or ammonium silicate FUJI PHOTO FILM CO., LTD. (JP) 1993-10-05 US disclosed