SCHEMBL9529170

SCHEMBL9529170

CC(C)(C)c1ccc(CC(=S)NNC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.51
ESRRB O95718 2/20 0.51
NLRP3 Q96P20 1/20 0.49
NR1H4 Q96RI1 7/20 0.49
EPHX2 P34913 3/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC13A5 Q86YT5 2/20 0.43
NR4A2 P43354 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9563816 0.83 L3MBTL1 (0.49) NLRP3EPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL9532375 0.79 ALDH1A1 (0.50) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL9531767 0.78 GAA (0.51) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9529403 0.78 MEN1 (0.50) NLRP3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9527224 0.77 HTT (0.60) NLRP3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11847434 0.77 NR1H4 (0.46) ESRRGESRRBNLRP3NR1H4EPHX2
SCHEMBL11510766 0.75 NR1H4 (0.47) ESRRGESRRBNR1H4EPHX2ALDH1A1
SCHEMBL840854 0.75 NR1H4 (0.70) NR1H4EPHX2ALDH1A1LMNAMAPT
SCHEMBL4104911 0.75 ESRRG (0.67) ESRRGESRRBNR1H4EPHX2LMNA
Hydrochloric Acid SCHEMBL2528372 0.73 NR1H4 (0.68) NR1H4EPHX2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US claimed
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed