SCHEMBL29856151

SCHEMBL29856151

CCc1c(C(=O)c2ccc(OCc3ccccc3)cc2)c2nccnc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SRD5A2 P31213 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PARP10 Q53GL7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL29856299 0.86 SMN1; SMN2 (0.49) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856204 0.86 SRD5A2 (0.49) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856224 0.82 LMNA (0.37) ALDH1A1HTTSRD5A2MAPTRAB9A
SCHEMBL29856249 0.80 SRD5A2 (0.47) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856222 0.80 SRD5A2 (0.47) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856187 0.78 SRD5A2 (0.47) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856194 0.78 SRD5A2 (0.47) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856292 0.76 SRD5A2 (0.46) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856626 0.75 MAOB (0.52) MAOBALDH1A1HTTSMN1; SMN2SRD5A2
SCHEMBL29856328 0.74 MEN1 (0.46) MAOBALDH1A1HTTSMN1; SMN2SRD5A2

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed