SCHEMBL22259656

SCHEMBL22259656

Cc1nn(C)c2cc(C3=NOC(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)N3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
LDHA P00338 1/20 0.39
SCD5 Q86SK9 2/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY12 Q9H244 3/20 0.35
TBK1 Q9UHD2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
QPCT Q16769 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL20116129 0.78 TUBB4A (0.50) SMN1; SMN2LDHA
SCHEMBL30552726 0.78 TUBB4A (0.50) SMN1; SMN2LDHA
SCHEMBL22357989 0.78 LDHA (0.54) SMN1; SMN2LDHASCD5
SCHEMBL22357963 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LDHASCD5RAB9AKMT2A
SCHEMBL26999735 0.75 TUBB4A (0.47) SMN1; SMN2LDHARAB9A
SCHEMBL30506269 0.75 KMT2A (0.43) SMN1; SMN2LDHASCD5RAB9AKMT2A
SCHEMBL20116134 0.75 KMT2A (0.43) SMN1; SMN2LDHASCD5RAB9AKMT2A
SCHEMBL22358346 0.74 LDHA (0.40) SMN1; SMN2LDHARAB9A
SCHEMBL22357816 0.73 LDHA (0.39) SMN1; SMN2LDHASCD5RAB9AKMT2A
SCHEMBL22357801 0.73 SCD5 (0.40) SMN1; SMN2LDHASCD5RAB9AKMT2A

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-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed