SCHEMBL28533141

SCHEMBL28533141

[c]1cc(-c2ccc3c(c2)OCO3)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 11/20 0.43
RAB9A P51151 11/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
NISCH Q9Y2I1 1/20 0.43
TP53 P04637 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
POLB P06746 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4031773 0.71 KDM4E (0.53) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL16373701 0.70 NPC1 (0.56) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22162812 0.69 CA12 (0.58) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL493511 0.68 KDM4E (0.49) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL17055934 0.68 NOTUM (0.58) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21373510 0.68 ALDH1A1 (0.52) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL17788472 0.68 NPC1 (0.60) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5563525 0.67 SMN1; SMN2 (0.47) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL9431911 0.67 KDM4E (0.68) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL6835667 0.67 NPC1 (0.66) LMNANPC1RAB9ASMN1; 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
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed