SCHEMBL6685518

SCHEMBL6685518

NC(=O)c1ccccc1NC(=S)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 3/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALOX12 P18054 4/20 0.57
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
THRB P10828 1/20 0.57
CFD P00746 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9818577 0.83 MAOB (0.65) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL3628197 0.80 SIRT2 (0.70) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL30311518 0.79 HSD17B10 (0.63) ALDH1A1HPGDKDM4EPOLBSIRT2
SCHEMBL2754257 0.79 HSD17B10 (0.63) ALDH1A1HPGDKDM4EPOLBSIRT2
SCHEMBL11374387 0.78 ALDH1A1 (0.69) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8614489 0.78 HPGD (0.71) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL6816841 0.77 MAOB (0.69) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL3353110 0.76 KDM4E (0.66) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL11356477 0.76 GAA (0.69) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL9728074 0.75 ALDH1A1 (0.70) ALDH1A1HPGDMAPTLMNAKDM4E

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
WO-2004087685-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO disclosed