SCHEMBL28048727

SCHEMBL28048727

CSc1cccc(C(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ ALB P02768 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL28858278 0.83 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AGAALMNA
SCHEMBL27262596 0.82 KDM4E (0.40) POLBCA12CA1CA2CA4
SCHEMBL11758277 0.82 AKR1C3 (0.47) POLBALDH1A1KMT2AGAALMNA
SCHEMBL23714659 0.80 GAA (0.53) POLBALDH1A1KMT2AGAALMNA
SCHEMBL16952148 0.80 ALDH1A1 (0.37) POLBCA12CA1CA2CA4
SCHEMBL709788 0.79 POLB (0.68) POLBCA12CA1CA2CA4
SCHEMBL29391544 0.79 POLB (0.68) POLBCA12CA1CA2CA4
SCHEMBL336107 0.79 ALDH1A1 (0.60) POLBCA12CA1CA2CA4
SCHEMBL11805965 0.78 POLB (0.50) POLBCA12CA1CA2CA4
SCHEMBL2960122 0.78 ALDH1A1 (0.57) POLBCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377836-B Substituted N (base of 1,2,4 triazole 3) aryl carboxamide compounds and its purposes as herbicide 巴斯夫欧洲公司 2018-04-10 — — CN disclosed
CN-106660951-A Herbicidally active N- (1-methyltetrazol-5-yl) benzoic acid amides 拜耳作物科学股份公司 2017-05-10 — — CN disclosed
CN-105377836-A Substituted n-(1,2,4-triazol-3-yl)arylcarboxamide compounds and their use as herbicides BASF SE 2016-03-02 — — CN disclosed
Send feedback