SCHEMBL21769965

SCHEMBL21769965

CSc1ccc(-c2ccc(CCl)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MAPT P10636 2/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
AURKA O14965 1/20 0.38
ABL1 P00519 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
SCHEMBL26316731 0.81 AURKA (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL1549465 0.79 GRM2 (0.50) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL21035639 0.77 CYP11B1 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL2411349 0.77 CYP11B1 (0.59) RAB9ANPC1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL28288104 0.75 CCR1 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL30888429 0.75 CCR1 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL1006499 0.75 SLC6A4 (0.52) RAB9ANPC1MAPTSLC6A4CYP3A4
SCHEMBL21769964 0.74 RORC (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL19992711 0.74 APP (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL389742 0.74 PTGS2 (0.45) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed