SCHEMBL30089337

SCHEMBL30089337

Cc1ccc(NC(=O)c2cn(Cc3ccccn3)c3ccccc23)c(C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.78
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
CHRM1 P11229 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
F10 P00742 1/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
THRB P10828 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CA12 O43570 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
SCHEMBL28573025 1.00 SLC22A12 (0.78) SLC22A12KDM4ELMNAHTTSMN1; SMN2
SCHEMBL28914750 0.92 SLC22A12 (0.78) SLC22A12KDM4ELMNAHTTSMN1; SMN2
SCHEMBL30089239 0.89 SLC22A12 (0.78) SLC22A12KDM4ELMNASMN1; SMN2POLB
SCHEMBL28914786 0.89 SLC22A12 (0.78) SLC22A12KDM4ELMNAHTTSMN1; SMN2
SCHEMBL28573470 0.89 SLC22A12 (0.78) SLC22A12KDM4ELMNAHTTSMN1; SMN2
SCHEMBL28584191 0.89 SLC22A12 (0.78) SLC22A12KDM4ELMNASMN1; SMN2POLB
SCHEMBL28589808 0.88 SLC22A12 (1.00) SLC22A12KDM4ELMNAHTTSMN1; SMN2
SCHEMBL28573465 0.85 SLC22A12 (0.76) SLC22A12KDM4ELMNAHTTPOLB
SCHEMBL28580613 0.85 SLC22A12 (0.72) SLC22A12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28584451 0.82 SLC22A12 (0.81) SLC22A12KDM4ELMNACNR2CNR1

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-113004187-B Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed