SCHEMBL30729286

SCHEMBL30729286

Brc1ccc(-c2ccc(N3CCOCC3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 7/20 0.48
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
PRKDC P78527 10/20 0.48
MAPK1 P28482 3/20 0.46
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL1515927 0.72 AKR1C3 (0.65) NPC1RAB9APKMMAPTKDM4E
SCHEMBL3408091 0.71 RAB9A (0.74) NPC1RAB9APKMMAPTKDM4E
SCHEMBL5963207 0.71 ALDH1A1 (0.58) NPC1RAB9APKMMAPTKDM4E
SCHEMBL30729279 0.70 NPC1 (0.59) NPC1RAB9APKMMAPTKDM4E
SCHEMBL28286793 0.67 AKR1C3 (0.54) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL14212567 0.67 ALDH1A1 (0.47) NPC1RAB9APKMMAPTKDM4E
SCHEMBL11531976 0.67 AKR1C3 (0.59) NPC1RAB9APKMMAPTKDM4E
SCHEMBL721718 0.67 SMN1; SMN2 (0.44) NPC1RAB9APKMMAPTKDM4E
SCHEMBL29173466 0.66 AKR1C3 (0.57) NPC1RAB9APKMMAPTKDM4E
Hydrochloric Acid SCHEMBL9937226 0.66 SMN1; SMN2 (0.43) NPC1RAB9APKMMAPTKDM4E

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
CN-117377478-A Methods and compositions for regenerating hair cells in the inner ear of an adult mammal 麻省眼耳科医院 2024-01-09 CN disclosed