SCHEMBL28145995

SCHEMBL28145995

NC(=O)c1c(F)cccc1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.54
SCN9A Q15858 2/20 0.47
IL2 P60568 1/20 0.46
RORA P35398 2/20 0.43
RORB Q92753 2/20 0.43
RIPK1 Q13546 1/20 0.42
RAB9A P51151 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
EPHX2 P34913 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL5616332 0.82 PTGS2 (0.50) RORC
SCHEMBL3708513 0.76 CES2 (0.48) RORCSCN9ARORB
SCHEMBL2390396 0.76 KCNJ5 (0.49) RORCSCN9ARORBRIPK1SLC22A12
Hydrochloric Acid SCHEMBL4371024 0.75 CES2 (0.47) RORCSCN9ARORB
SCHEMBL27897141 0.74 RORB (0.45) SCN9ARORBRIPK1SLC22A12HTR3E
SCHEMBL9890806 0.73 RORB (0.42) SCN9ARORBRIPK1RAB9ASLC22A12
SCHEMBL2773940 0.72 AURKA (0.43) RORCSCN9ARORBRIPK1RAB9A
SCHEMBL30463470 0.72 BCAT2 (0.53) RAB9A
SCHEMBL5670647 0.72 DHODH (0.57) RORCIL2RAB9A
SCHEMBL8659324 0.71 PTGS2 (0.46) SCN9A

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
CN-109906216-A Histone acetyltransferases activator and combinations thereof and purposes 纽约哥伦比亚大学理事会 2019-06-18 CN disclosed
CN-106604913-A Histone acetyltransferase activators and uses thereof 纽约哥伦比亚大学理事会 2017-04-26 CN disclosed