SCHEMBL28909463

SCHEMBL28909463

CNC(=O)NS(=O)(=O)[C@H]1CC[C@H](CNC(=O)c2cc[nH]n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.39
CNR1 P21554 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 2/20 0.34
MLLT1 Q03111 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
FBP1 P09467 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33

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
SCHEMBL28518833 0.84 RORC (0.44) RORCCNR1HIF1AKDM4E
SCHEMBL28511837 0.84 RORC (0.44) RORCCNR1HIF1AKDM4E
SCHEMBL22372103 0.82 HIF1A (0.48) CNR1HIF1AMAPK14KDM4EALDH1A1
SCHEMBL28909407 0.82 CA2 (0.41) RORCCNR1HIF1AKDM4EALDH1A1
SCHEMBL5592949 0.76 HDAC6 (0.50) CNR1GSK3B
SCHEMBL19268285 0.69 SCN9A (0.32)
SCHEMBL169064 0.66
SCHEMBL3144624 0.65 CNR1 (0.41) CNR1KDM4E
SCHEMBL28512245 0.65 RORC (0.46) RORC
SCHEMBL28511146 0.65 RORC (0.46) RORC

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-112292373-A Pyridylpyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 CN disclosed