SCHEMBL21133250

SCHEMBL21133250

CC(C)c1cccc(NC(=O)c2cncnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.56
▸ AURKA O14965 1/20 0.55
▸ RPS6KB1 P23443 1/20 0.55
▸ BRAF P15056 1/20 0.55
▸ USP36 Q9P275 1/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KDR P35968 3/20 0.52
▸ CSF1R P07333 4/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ LCK P06239 1/20 0.50
▸ KIT P10721 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ CBLB Q13191 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 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
SCHEMBL6174621 0.86 RAB9A (0.73) BRAFNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9978845 0.85 FADS1 (0.64) FADS1BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL11984231 0.84 KCNK3 (0.66) FADS1BRAFNPC1RAB9ATP53
SCHEMBL15238443 0.84 MEN1 (0.75) USP36NPC1RAB9ATP53SMN1; SMN2
SCHEMBL23844177 0.83 FADS1 (0.62) FADS1BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL23844180 0.82 RAB9A (0.62) FADS1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8283426 0.82 KCNK9 (0.69) FADS1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL21695759 0.81 AURKA (0.58) FADS1AURKARPS6KB1BRAFNPC1
SCHEMBL21695760 0.81 FADS1 (0.53) FADS1BRAFUSP36NPC1RAB9A
SCHEMBL21133272 0.79 FADS1 (0.58) FADS1NPC1RAB9ATP53SMN1; 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 3 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
EP-3502198-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INFRARED READING METHOD, AND PRINTED PRODUCT FUJIFILM Corporation (JP) 2019-06-26 — — EP disclosed
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