SCHEMBL22795016

SCHEMBL22795016

CCCCCN1CCN(Cc2ccc(C(C)C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PLA2G2A P14555 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
CCR3 P51677 1/20 0.47
FAAH O00519 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL22795022 0.89 RAB9A (0.53) SIGMAR1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL22794049 0.89 ALDH1A1 (0.57) SIGMAR1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL25481326 0.88 RAB9A (0.52) SIGMAR1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL22795014 0.87 MEN1 (0.55) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL22794246 0.87 ALDH1A1 (0.54) SIGMAR1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL25108464 0.87 SIGMAR1 (0.48) SIGMAR1ALDH1A1PLA2G2ANPC1RAB9A
SCHEMBL25108460 0.86 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL25109381 0.86 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL24514285 0.86 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL24514523 0.86 ALDH1A1 (0.53) SIGMAR1ALDH1A1HTTSMN1; SMN2NPC1

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-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed