SCHEMBL28859839

SCHEMBL28859839

O=C(Nc1cccc(OC(F)(F)F)c1F)c1cc[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ BRAF P15056 6/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MLYCD O95822 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ KCNK3 O14649 1/20 0.38

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
SCHEMBL14278745 0.80 RAB9A (0.50) HTTSMN1; SMN2MEN1KMT2APARP1
SCHEMBL29177412 0.77 GAA (0.44) RXFP1GAAMEN1KMT2AKCNK3
SCHEMBL12480284 0.76 ANO1 (0.47) RXFP1HTTGAAKCNK3KCNK9
SCHEMBL15391362 0.74 MLYCD (0.57) NAMPTMLYCDHTTSMN1; SMN2GAA
SCHEMBL4783765 0.73 SMN1; SMN2 (0.54) HTTSMN1; SMN2GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL20378179 0.72 EPHX2 (0.43) —
Hydrochloric Acid SCHEMBL20378176 0.72 EPHX2 (0.43) —
SCHEMBL22819921 0.71 RXFP1 (0.61) NAMPTRXFP1BRAFKCNK3KCNK9
SCHEMBL29739342 0.70 NPC1 (0.52) RXFP1GAAMEN1KMT2ATRPV1
SCHEMBL18554430 0.70 EPHX2 (0.43) —

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-108024992-A Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders 艾其林医药公司 2018-05-11 — — CN disclosed
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