SCHEMBL28200282

SCHEMBL28200282

C[C](C)Cc1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GLS O94925 2/20 0.48
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
CYP19A1 P11511 1/20 0.45
TBXAS1 P24557 1/20 0.45
NSD2 O96028 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.42
PABPC1 P11940 1/20 0.41

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
SCHEMBL28001770 0.87 LOXL2 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL3136413 0.80 KDM4E (0.56) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL3720399 0.80 KDM4E (0.59) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL21860417 0.80 MEN1 (0.43) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL6114797 0.79 CYP19A1 (0.54) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL3783847 0.79 GLS (0.49) MEN1KMT2AKDM4EMAPTGLS
Hydrochloric Acid SCHEMBL3712126 0.79 KDM4E (0.57) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL763204 0.79 MAPT (0.54) MEN1KMT2AKDM4EMAPTMAPK8
SCHEMBL27612792 0.76 KDM4E (0.42) MEN1KMT2AKDM4EMAPTGLS
SCHEMBL5495469 0.76 CYP19A1 (0.54) MEN1KMT2AKDM4EMAPTGLS

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-110278711-A TRICYCLIC SULFONES AS ROR GAMMA MODULATORS 百时美施贵宝公司 2019-09-24 CN disclosed
CN-107709295-A Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2018-02-16 CN disclosed