SCHEMBL22197860

SCHEMBL22197860

Cc1n[nH]c(C)c1Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.62
AR P10275 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13313003 0.85 LMNA (0.66) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL26100801 0.82 LMNA (0.62) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL4230856 0.82 LMNA (0.62) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL1774454 0.81 LMNA (0.66) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL4233865 0.80 LMNA (0.52) MEN1KMT2ALMNAARSMN1; SMN2
Hydrochloric Acid SCHEMBL23068261 0.80 LMNA (0.64) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL9464633 0.79 LMNA (0.63) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL4056059 0.79 LMNA (0.58) MEN1KMT2ALMNAARSMN1; SMN2
SCHEMBL23453748 0.78 MEN1 (0.57) MEN1KMT2ALMNA
SCHEMBL4064130 0.77 MEN1 (1.00) MEN1KMT2ALMNAARP2RX7

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-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed