SCHEMBL9655286

SCHEMBL9655286

CCC(=NNC(=O)O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
NPC1 O15118 5/20 0.65
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.53
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DAO P14920 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 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
SCHEMBL9655282 1.00 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9656096 0.80 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9656092 0.80 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL27596097 0.79 CTSL (0.68) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2777077 0.75 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2777080 0.75 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9656950 0.74 NPC1 (0.47) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL720916 0.74 TP53 (0.68) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL9768607 0.72 TP53 (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9768608 0.72 TP53 (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299974-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-01-22 EP claimed
EP-0299974-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP claimed
WO-1987006127-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO claimed