SCHEMBL29142191

SCHEMBL29142191

NC(=O)Oc1ncccc1C(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38
NAPRT Q6XQN6 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KIF11 P52732 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ROCK2 O75116 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28453579 0.79 RAB9A (0.44) RAB9AALDH1A1KDM4EMAPTTSHR
SCHEMBL2635568 0.78 KIF11 (0.42) ALDH1A1MAPTKIF11ATM
Hydrochloric Acid SCHEMBL26136590 0.76 TRPV1 (0.41) ALDH1A1MAPTKIF11ATM
SCHEMBL15880497 0.75 HTT (0.42) RAB9AALDH1A1MAPTL3MBTL1PARP1
SCHEMBL28793465 0.75 RAB9A (0.46) RAB9AALDH1A1KDM4EMAPTCYP3A4
SCHEMBL26917325 0.75 NAPRT (0.61) ALDH1A1KDM4EMAPTTSHRCYP3A4
Hydrochloric Acid SCHEMBL27227698 0.73 NAPRT (0.59) ALDH1A1KDM4EMAPTTSHRCYP3A4
SCHEMBL1767096 0.73 RAB9A (0.41) RAB9AALDH1A1PARP1NAPRTSMN1; SMN2
SCHEMBL7605126 0.73 KDM4E (0.41) RAB9AALDH1A1KDM4EMAPTTSHR
SCHEMBL5206688 0.73 RAB9A (0.41) RAB9AALDH1A1KDM4EMAPTALOX15

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
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed