SCHEMBL22802249

SCHEMBL22802249

Cc1ccc(CN2CCN(CCCCCCCCC(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.52
HRH1 P35367 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL22802253 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBATMHRH1
SCHEMBL22802899 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBATMHRH1
SCHEMBL22802250 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBATMHRH1
SCHEMBL22802896 0.87 LMNA (0.59) ALDH1A1LMNACCR3
SCHEMBL22802902 0.87 LMNA (0.59) ALDH1A1LMNACCR3
SCHEMBL8106831 0.86 CCR3 (0.64) LMNAPOLBMEN1KMT2ACCR3
SCHEMBL25108460 0.85 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ACCR3
SCHEMBL8106645 0.84 CCR3 (0.66) LMNAPOLBMEN1KMT2ACCR3
SCHEMBL22802254 0.83 ALDH1A1 (0.64) ALDH1A1LMNAPOLBHRH1MEN1
SCHEMBL25481035 0.82 SMN1; SMN2 (0.51) ALDH1A1LMNAPOLBATMMEN1

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-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed