SCHEMBL8527189

SCHEMBL8527189

CCn1c(C(F)(F)F)n[nH]c1=S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
APOBEC3G Q9HC16 4/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.42
GFER P55789 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8529960 0.77 KDM4E (0.37) KDM4EAPOBEC3GGAACYP1A2MEN1
SCHEMBL6643747 0.74 LMNA (0.40) KDM4EAPOBEC3GGAATDP1ALDH1A1
SCHEMBL8978649 0.71 ALDH1A1 (0.78) KDM4EAPOBEC3GTDP1CYP1A2MEN1
SCHEMBL12847415 0.69 APOBEC3G (0.71) KDM4EAPOBEC3GGAATDP1CYP1A2
SCHEMBL14266674 0.69 TTR (0.33) KDM4EGAATDP1MEN1KMT2A
SCHEMBL1543721 0.67 KDM4E (0.67) KDM4EAPOBEC3GGAATDP1CYP1A2
SCHEMBL14256477 0.66 TTR (0.32) KDM4EGAATDP1CYP1A2ALDH1A1
SCHEMBL9510041 0.65 TDP1 (0.51) KDM4EAPOBEC3GGAATDP1CYP1A2
SCHEMBL6621860 0.65 KDM4E (0.50) KDM4EAPOBEC3GGAATDP1CYP1A2
SCHEMBL8888876 0.65 KDM4E (0.50) KDM4EAPOBEC3GGAATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739349-A CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0661277-B1 Process for making triazolines and new untermediates used therein BAYER AG (DE) 1998-03-11 EP disclosed
US-5688963-A CHEMICAL INTERMEDIATES FOR PREPARATION OF HERBICIDES AND INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
EP-0657437-B1 Process and novel intermediates for the preparation of triazolinones BAYER AG (DE) 1997-08-27 EP disclosed
US-5639891-A HERBICIDES; INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-06-17 US disclosed
US-5508420-A REACTING TRIAZOLINETHIONE WITH OXIDANT, REACTING FORMED TRIAZOLESULFONIC ACID WITH WATER TO FORM TRIAZOLINONE BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5475115-A Reacting sulfonyltriazole with alkali hydroxide followed by acidification BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0661277-A1 Process for making triazolines and new untermediates used therein BAYER AG (DE) 1995-07-05 EP disclosed
EP-0657437-A1 Process and novel intermediates for the preparation of triazolinones BAYER AG (DE) 1995-06-14 EP disclosed