SCHEMBL9656234

SCHEMBL9656234

CC(=NNC(=O)O)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
KMT2A Q03164 2/20 0.66
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 5/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
GAA P10253 6/20 0.59
PKM P14618 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.58

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
SCHEMBL9656226 1.00 POLB (0.69) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14938452 0.85 POLB (0.68) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL11606677 0.83 RAB9A (0.74) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14950223 0.81 POLB (0.58) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14938448 0.81 RAB9A (0.65) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14942143 0.79 RAB9A (1.00) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL942207 0.78 ALDH1A1 (0.64) POLBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL940739 0.78 ALDH1A1 (0.64) POLBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL564406 0.77 POLB (0.66) POLBKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL119577 0.77 POLB (0.66) POLBKMT2ARAB9ANPC1SMN1; SMN2

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