SCHEMBL7012912

SCHEMBL7012912

CCc1c(Sc2cc(C)cc(C)c2)cc(=O)[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
IDO1 P14902 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL6024625 0.84 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL6023315 0.75 MAPT (0.43) SMN1; SMN2KDM4EMAPTLMNAALDH1A1
SCHEMBL7010909 0.72 PDE3B (0.35) SMN1; SMN2HSD17B10HTTMAPTPDE3B
SCHEMBL7009670 0.71 GRIN2D (0.41) SMN1; SMN2HSD17B10MAPTPDE3BPDE3A
SCHEMBL9846130 0.70 HSD17B10 (0.47) SMN1; SMN2HSD17B10KDM4EHTTMAPT
SCHEMBL6086721 0.69 TYMP (0.37) SMN1; SMN2HSD17B10KDM4EPDE3BPDE3A
SCHEMBL6024645 0.67 KDM4E (0.43) SMN1; SMN2HSD17B10KDM4EHTTLMNA
SCHEMBL7007080 0.66 MAPT (0.39) SMN1; SMN2HSD17B10KDM4EHTTMAPT
SCHEMBL7010610 0.66 ALDH1A1 (0.46) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL7848205 0.65 ALDH1A1 (0.36) SMN1; SMN2KDM4EMAPTLMNANOTUM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843663-B9 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-10-29 EP disclosed
EP-0843663-B1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-04-09 EP disclosed
US-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 US disclosed
WO-1997005113-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1997-02-13 WO disclosed