SCHEMBL29675166

SCHEMBL29675166

COc1nc(-c2ccc(Br)o2)nc(F)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.42
NPC1 O15118 13/20 0.42
SMN1; SMN2 Q16637 8/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MAPT P10636 9/20 0.41
ALDH1A1 P00352 7/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL23323407 1.00 RAB9A (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL23324042 0.85 ADORA2A (0.35) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28777421 0.84 TSHR (0.31) TSHR
SCHEMBL23302331 0.84 RORC (0.38) TSHRKDM4E
SCHEMBL29675041 0.84 TSHR (0.31) TSHR
SCHEMBL23323475 0.80 KDM4E (0.30) SMN1; SMN2ALDH1A1KMT2ATP53KDM4E
SCHEMBL29675207 0.80 KDM4E (0.30) SMN1; SMN2ALDH1A1KMT2ATP53KDM4E
SCHEMBL23302333 0.79 ILK (0.35) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL30637693 0.78 RAB9A (0.34) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL27083198 0.78 RAB9A (0.34) RAB9ANPC1MEN1KMT2AKDM4E

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-114585618-A Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed