SCHEMBL9736622

SCHEMBL9736622

NC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 3/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PPOX P50336 1/20 0.35
TYMS P04818 1/20 0.32

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
SCHEMBL9737247 0.83 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL9765209 0.83 KDM4E (0.33) LMNAKDM4EPPOX
SCHEMBL9735997 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL11013114 0.79 PPOX (0.40) NPSR1KDM4ESMN1; SMN2PPOXTYMS
SCHEMBL24939668 0.78 PIM3 (0.44) ALDH1A1KDM4ESMN1; SMN2TYMS
SCHEMBL6523533 0.74 ALDH1A1 (0.51) ALDH1A1LMNAMAPTHPGDMAPK1
SCHEMBL9309327 0.74 PIM3 (0.49) ALDH1A1HPGDKDM4ETYMS
SCHEMBL9765188 0.73 KDM4E (0.35) ALDH1A1MAPTHPGDKDM4E
SCHEMBL11014158 0.72 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPK1
SCHEMBL8560334 0.72 TDP1 (0.50) ALDH1A1LMNAMAPTHPGDHTT

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