SCHEMBL27363079

SCHEMBL27363079

CCCC(=O)Nc1ccc(OC(F)c2nc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MGLL Q99685 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL27477218 0.88 MAPT (0.52) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL27363078 0.86 RAB9A (0.55) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL7550290 0.75 RAB9A (0.53) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL9842891 0.74 TP53 (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7544139 0.73 RAB9A (0.69) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL7543912 0.73 RAB9A (0.72) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL7541469 0.72 RAB9A (0.57) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL19771114 0.72 POLB (0.74) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL27346655 0.70 RAB9A (0.44) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL27363648 0.69 TSHR (0.46) MAPTRAB9AALDH1A1NPC1MEN1

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
CN-1073097-C Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 2001-10-17 — — CN disclosed
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