SCHEMBL10972478

SCHEMBL10972478

Cc1c(F)c(F)c(Oc2cccc(F)c2[N+](=O)[O-])c(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSPB1 P04792 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ VEGFA P15692 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL11116038 0.85 TSHR (0.43) HSPB1ALDH1A1TP53EPAS1TDP1
SCHEMBL10970098 0.82 HPGD (0.52) MAPTSMN1; SMN2HSPB1ALDH1A1PIN1
SCHEMBL10519544 0.78 MAPT (0.41) MAPTALDH1A1KDM4ECRHBPCRHR2
SCHEMBL11401947 0.77 KDM4E (0.48) MAPTALDH1A1L3MBTL1KDM4ECRHBP
SCHEMBL19189611 0.74 L3MBTL1 (0.45) MAPTSMN1; SMN2HSPB1ALDH1A1PIN1
SCHEMBL11411623 0.73 MEN1 (0.38) MAPTSMN1; SMN2HSPB1ALDH1A1NPSR1
SCHEMBL6117 0.72 TDP1 (0.53) MAPTSMN1; SMN2HSPB1ALDH1A1L3MBTL1
SCHEMBL30297160 0.72 TDP1 (0.53) MAPTSMN1; SMN2HSPB1ALDH1A1L3MBTL1
SCHEMBL10766268 0.72 TDP1 (0.42) MAPTSMN1; SMN2HSPB1ALDH1A1NPSR1
SCHEMBL1341322 0.71 L3MBTL1 (0.46) MAPTSMN1; SMN2HSPB1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 — — EP disclosed
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