SCHEMBL9087787

SCHEMBL9087787

C=CCOC(=O)c1cccc2nnsc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SNCA P37840 1/20 0.37
FGFR1 P11362 1/20 0.36
RHOA P61586 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LIG1 P18858 1/20 0.33
NPC1 O15118 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
SCHEMBL7243970 0.82 PKM (0.37) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL9087862 0.82 TSHR (0.53) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL9367022 0.81 MMP1 (0.47) CYP3A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL6964915 0.80 MAPT (0.35) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4203207 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL9088671 0.80 MAPK1 (0.36) ALDH1A1TSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL3801881 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL2450013 0.78 MAPT (0.36) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL9086720 0.78 MAPK1 (0.43) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL29710690 0.78 MAPT (0.36) ALDH1A1TSHRHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US claimed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP claimed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 EP claimed
US-5523311-A CARBONYLOXY OR THIOCARBONYL-BENZO-1,2,3-THIADIAZOLE DERIVATIVES USED AS CHEMICAL ACTIVATOR TO STIMULATE PLANTS CAPACITY TO DEFEND ITSELF AGAINST MICROBIAL INFECTIONS CIBA-GEIGY CORPORATION (US) 1996-06-04 US disclosed
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 EP disclosed