SCHEMBL22628665

SCHEMBL22628665

CC(C)c1cccc(NC(=O)c2c(Cl)cc(Cl)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.56
▸ PTPRC P08575 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ TYK2 P29597 4/20 0.47
▸ CA2 P00918 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ JAK2 O60674 2/20 0.45

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
SCHEMBL24211467 0.81 KCNK3 (0.62) FADS1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22699673 0.81 FADS1 (0.59) FADS1SMN1; SMN2CA2MEN1KMT2A
SCHEMBL21133270 0.81 MEN1 (0.59) PTPRCSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22628666 0.79 TSHR (0.65) FADS1SMN1; SMN2TP53MAPK1CA2
SCHEMBL23844180 0.79 RAB9A (0.62) FADS1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL9978845 0.79 FADS1 (0.64) FADS1SMN1; SMN2NPC1RAB9ACA2
SCHEMBL4152879 0.78 PTPRC (0.61) PTPRCNPC1RAB9ATYK2MEN1
SCHEMBL23844177 0.77 FADS1 (0.62) FADS1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL24211468 0.77 TAS1R3 (0.57) PTPRCSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL11606118 0.77 EGFR (0.53) FADS1SMN1; SMN2NPC1TP53NFKB1

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
US-20200369901-A1 DISPERSION, INK JET RECORDING METHOD, RECORDED MATERIAL, AND COMPOUND FUJIFILM CORPORATION (JP) 2020-11-26 — — US disclosed
US-20200347252-A1 INK COMPOSITION FOR INK JET PRINTING, IMAGE FORMING METHOD, AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2020-11-05 — — US disclosed
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