SCHEMBL20528632

SCHEMBL20528632

NC(=S)NNC(=O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA9 Q16790 1/20 0.62
MAOA P21397 1/20 0.59
GAA P10253 4/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 1/20 0.53
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL2287134 0.85 MAOA (0.68) MAOAGAAKMT2APOLBMEN1
SCHEMBL29123185 0.84 CA1 (0.67) CA1CA9GAAKMT2AMEN1
SCHEMBL6142664 0.81 PTPN1 (0.59) CA1CA9MAOAGAAKMT2A
SCHEMBL7819605 0.81 CA1 (0.62) CA1CA9MAOAGAAPOLB
SCHEMBL37273 0.80 ALDH1A1 (0.68) CA1CA9MAOAGAAKMT2A
SCHEMBL14019207 0.79 SMN1; SMN2 (0.67) CA1CA9GAAKMT2AMEN1
SCHEMBL2555872 0.78 CA1 (0.59) CA1CA9GAASMN1; SMN2ALDH1A1
SCHEMBL6538536 0.78 CTDSP1 (0.72) CA1CA9GAAKMT2APOLB
SCHEMBL2998472 0.77 CA1 (1.00) CA1CA9MAOAGAAPOLB
SCHEMBL7326864 0.77 CRHBP (0.69) CA1CA9GAAKMT2ASMN1; SMN2

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
EP-3606910-A1 TRIAZOLE COMPOUND AND USE THEREOF IN AGRICULTURE Dongguan Hec Pesticides R&D Co., Ltd. (CN) 2020-02-12 EP disclosed
WO-2018184579-A1 TRIAZOLE COMPOUND AND USE THEREOF IN AGRICULTURE DONGGUAN HEC TECH R&D CO., LTD. (CN) 2018-10-11 WO disclosed