SCHEMBL29020384

SCHEMBL29020384

NC(Cc1nccs1)(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HIF1A Q16665 1/20 0.38
AURKA O14965 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
PLA2G4A P47712 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
FDPS P14324 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10411485 0.83 MEN1 (0.43) SLC6A3MEN1KMT2ARAB9ANPC1
SCHEMBL17439463 0.78 KMT2A (0.43) SLC6A3MEN1KMT2ARAB9ANPC1
SCHEMBL22190045 0.73 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2HIF1ACYP2C19
Methane SCHEMBL29238356 0.72 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2HIF1ACYP2C19
SCHEMBL3243595 0.72 VNN1 (0.43) MEN1KMT2ASMN1; SMN2HIF1AHPGD
SCHEMBL29203939 0.70 CYP1A2 (0.37) MEN1KMT2ASMN1; SMN2HIF1AKDM4E
SCHEMBL29470115 0.69 FDPS (0.41) SLC6A3MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL1081535 0.69 CYP1A2 (0.47) MEN1KMT2ASMN1; SMN2HIF1ACYP2C19
SCHEMBL1712451 0.69 CYP1A2 (0.47) MEN1KMT2ASMN1; SMN2HIF1ACYP2C19
SCHEMBL1712531 0.69 CYP1A2 (0.47) MEN1KMT2ASMN1; SMN2HIF1ACYP2C19

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-110769824-B IL-8 inhibitors for the treatment and/or prophylaxis of bacterial secondary infections 东佩制药股份公司 2023-05-23 CN disclosed