SCHEMBL31430447

SCHEMBL31430447

Fc1ccc2oc(Nc3nc4ccccc4o3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
RAB9A P51151 10/20 0.60
SMN1; SMN2 Q16637 6/20 0.58
PKM P14618 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
C1R P00736 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL15022003 0.84 RAB9A (0.78) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL11380542 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL11380798 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL31430570 0.83 IL6 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25245167 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL19899736 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL21066425 0.80 MAPT (0.58) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL19899552 0.80 FAAH (0.41) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL30897514 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL31430518 0.79 IL6 (0.44) NPC1RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO claimed
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO disclosed