SCHEMBL7956972

SCHEMBL7956972

Cc1cc([C]=O)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
NOS1 P29475 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL1043930 0.84 SMN1; SMN2 (0.38) POLBAPOBEC3GHTTLMNASMN1; SMN2
SCHEMBL19908631 0.74 LMNA (0.31) POLBAPOBEC3GLMNA
SCHEMBL6490224 0.73 GRM2 (0.35) HTTKDM4EALDH1A1MAPK1NPC1
SCHEMBL3720436 0.72 CYP1A1 (0.39) POLBAPOBEC3GNOS3NOS2NOS1
SCHEMBL1179216 0.72 KDM4E (0.45) KDM4EALDH1A1
SCHEMBL356245 0.71
SCHEMBL7789350 0.71 SELL (0.36) KDM4EALDH1A1
SCHEMBL1145902 0.71 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1
SCHEMBL5121096 0.70
SCHEMBL20431594 0.70 CYP1A1 (0.36) POLBAPOBEC3GNOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US claimed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed