SCHEMBL22628666

SCHEMBL22628666

CC(C)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ GAA P10253 1/20 0.58
▸ FADS1 O60427 1/20 0.58
▸ CA2 P00918 3/20 0.56
▸ CA1 P00915 2/20 0.56
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GLA P06280 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL22699673 0.83 FADS1 (0.59) ALDH1A1SMN1; SMN2FADS1CA2MEN1
SCHEMBL23844177 0.83 FADS1 (0.62) ALDH1A1SMN1; SMN2FADS1MEN1KMT2A
SCHEMBL4253898 0.81 SMN1; SMN2 (0.44) TSHRALDH1A1SMN1; SMN2MAPK1NPSR1
SCHEMBL9978845 0.81 FADS1 (0.64) SMN1; SMN2FADS1CA2MEN1KMT2A
SCHEMBL22628664 0.81 MEN1 (0.71) FADS1MEN1KMT2AKDM4EPOLB
SCHEMBL21133082 0.80 TSHR (0.71) TSHRALDH1A1SMN1; SMN2MAPK1NPSR1
SCHEMBL22628665 0.79 FADS1 (0.56) ALDH1A1SMN1; SMN2MAPK1FADS1CA2
SCHEMBL23309674 0.78 FADS1 (0.54) SMN1; SMN2FADS1CA2MEN1KMT2A
SCHEMBL23844180 0.78 RAB9A (0.62) ALDH1A1SMN1; SMN2FADS1CA2MEN1
SCHEMBL8283426 0.78 KCNK9 (0.69) SMN1; SMN2GAAFADS1MEN1KMT2A

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-10953668-B2 Ink jet recording ink, ink jet recording method, infrared reading method, and printed material FUJIFILM CORPORATION (JP) 2021-03-23 — — US disclosed
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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