SCHEMBL29627397

SCHEMBL29627397

COc1cc(C(C)(C)C2CCCCC2)cc(OC)c1C(=O)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
GRM5 P41594 3/20 0.46
F2 P00734 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL29627410 0.86 GRM5 (0.46) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL24539677 0.86 GRM5 (0.46) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL29627405 0.74 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL70492 0.70 GRM5 (0.61) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL7332135 0.70 PDE4D (0.71)
SCHEMBL24539680 0.69 HPGD (0.44) RAB9ATP53SMN1; SMN2MEN1KMT2A
SCHEMBL9713351 0.69 CYP1A2 (0.48) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL70510 0.68 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL14637696 0.68 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL29764989 0.68 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MEN1

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-2022133058-A1 RESORCINOL-BASED COMPOUNDS AND USES THEREOF SUTTER BAY HOSPITALS (US) 2022-06-23 WO disclosed