SCHEMBL9735997

SCHEMBL9735997

NC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
AR P10275 3/20 0.34
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL24939784 0.81 PIM3 (0.43) AR
SCHEMBL9737247 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL9736622 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL9309327 0.71 PIM3 (0.49) ALDH1A1HPGDKDM4E
SCHEMBL8560334 0.70 TDP1 (0.50) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL24939771 0.70 PIM3 (0.44)
SCHEMBL9765145 0.69 AR (0.34) AR
SCHEMBL24939830 0.68 PIM3 (0.64) ALDH1A1MAPTHPGDKDM4E
SCHEMBL2856986 0.67 CES2 (0.72) ALDH1A1HPGDKDM4ECES2PARP1
SCHEMBL30271464 0.67 CES2 (0.47) LMNACES2ARPARP1

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-5169428-A Tetrahydrophthalimide derivative and herbicide composition containing same TOSOH CORPORATION (JP) 1992-12-08 US disclosed
EP-0323271-A1 Tetrahydrophthalimide derivative and herbicide composition containing the same Tosoh Corporation (JP) 1989-07-05 EP disclosed