SCHEMBL11729065

SCHEMBL11729065

O=C(NN1C(=O)c2cccc(Br)c2C1=O)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.71
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 3/20 0.50
EPHX2 P34913 3/20 0.42
HTT P42858 2/20 0.41
F2R P25116 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9680918 0.87 CYP2C19 (0.74) CYP2C19ALDH1A1LMNAKDM4EHTT
SCHEMBL10333162 0.85 CYP2C19 (0.72) CYP2C19ALDH1A1LMNAKDM4EHTT
SCHEMBL10334221 0.81 CYP2C19 (0.66) CYP2C19ALDH1A1LMNAKDM4EEPHX2
SCHEMBL11729073 0.81 CYP2C19 (0.64) CYP2C19ALDH1A1LMNAKDM4EEPHX2
SCHEMBL9845547 0.75 CYP2C19 (0.60) CYP2C19ALDH1A1LMNAKDM4EEPHX2
SCHEMBL7886122 0.68 HPGD (0.57) ALDH1A1LMNAKDM4EHTTF2R
SCHEMBL18664790 0.66 CETP (0.56) ALDH1A1KDM4EF2RNPC1HPGD
SCHEMBL6656873 0.64 FEN1 (0.52) ALDH1A1LMNAKDM4EHTTNPC1
SCHEMBL11729050 0.63 ALDH1A1 (0.43) CYP2C19ALDH1A1LMNAKDM4EMAPT
SCHEMBL11728123 0.62 CYP2C19 (0.44) CYP2C19ALDH1A1LMNAKDM4EHTT

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-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-3940419-A Phthalimide derivatives and their use as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1976-02-24 US disclosed