SCHEMBL22152199

SCHEMBL22152199

Cc1nc2ccc(Br)cc2n1CCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.43
DUT P33316 1/20 0.39
PTAFR P25105 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
POLB P06746 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL26979747 0.93 BRD4 (0.40) LMNATP53HTTMAPTPTAFR
SCHEMBL22128301 0.78 POLB (0.53) LMNAHTTMAPTTSHRGALR3
SCHEMBL22128352 0.77 POLB (0.40) LMNAHTTMAPTTSHRGALR3
SCHEMBL15206346 0.77 DUT (0.45) LMNATP53HTTMAPTDUT
SCHEMBL22152198 0.77 TSHR (0.48) LMNATP53HTTMAPTTSHR
SCHEMBL18496285 0.75 BRD4 (0.60) LMNATP53HTTMAPTGALR3
SCHEMBL29719369 0.75 BRD4 (0.60) LMNATP53HTTMAPTGALR3
SCHEMBL18732125 0.75 ALDH1A1 (0.45) LMNATP53HTTMAPTTSHR
SCHEMBL18404171 0.75 KDM4E (0.48) LMNATP53HTTMAPTTSHR
SCHEMBL1515046 0.74 DUT (0.51) LMNAHTTMAPTDUTTSHR

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed