SCHEMBL30935604

SCHEMBL30935604

CC[C@@H](O)Cc1nc(-c2ccc(C)c(N)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
SCN5A Q14524 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
S1PR1 P21453 5/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL30935486 0.87 SCN5A (0.44) SMN1; SMN2NPSR1TDP1NPC1HTT
SCHEMBL30935593 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1TDP1NPC1HTT
SCHEMBL14741792 0.79 HDAC8 (0.41) SMN1; SMN2TDP1NPC1HTTRAB9A
SCHEMBL14741772 0.75 TP53 (0.44) SMN1; SMN2TDP1NPC1HTTRAB9A
SCHEMBL14739607 0.75 MAPT (0.55) HTTMAPTTSHRTP53
SCHEMBL14741559 0.75 TP53 (0.50) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL31261554 0.74 RAB9A (0.66) SMN1; SMN2TDP1NPC1RAB9AS1PR1
SCHEMBL30935565 0.74 RAB9A (0.66) SMN1; SMN2TDP1NPC1HTTRAB9A
SCHEMBL14741613 0.74 RAB9A (0.41) SMN1; SMN2TDP1NPC1HTTRAB9A
SCHEMBL14741548 0.74 RAB9A (0.41) SMN1; SMN2TDP1NPC1HTTRAB9A

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
EP-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed