SCHEMBL8109768

SCHEMBL8109768

CC1(C)CCc2cc(Br)ccc2S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PNMT P11086 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
BACE1 P56817 3/20 0.33
PGR P06401 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP2 O95551 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL5826295 0.73 MAPT (0.45) PGRKDM4EMEN1GAAMAPT
SCHEMBL8109924 0.73 KDM4E (0.47) KDM1AKDM4EMEN1MAPTKMT2A
SCHEMBL3169552 0.73 SIGMAR1 (0.44) KDM1AADRA2A
Hydrochloric Acid SCHEMBL27492472 0.72 SIGMAR1 (0.43) KDM1A
SCHEMBL9843359 0.71 BRD4 (0.36) KDM1APNMTASIC3PGRBRD4
SCHEMBL8117958 0.68 CYP3A4 (0.36) KDM1AKDM4EMEN1MAPTKMT2A
SCHEMBL2223847 0.68 KDM1A (0.43) KDM1APNMTASIC3BACE1PGR
SCHEMBL5737717 0.68 RARA (0.46) KDM1ABACE1KDM4EMEN1APAF1
SCHEMBL8101761 0.68 KDM1A (0.33) KDM1APNMTASIC3PGRBRD4
SCHEMBL3115309 0.67 CTSL (0.42) KDM1APNMTASIC3TDP1L3MBTL1

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
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed