SCHEMBL29967939

SCHEMBL29967939

O=C(O)c1nccnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
UGT1A1 P22309 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
TEAD4 Q15561 1/20 0.48
HIF1A Q16665 1/20 0.48
GPR35 Q9HC97 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL23388894 1.00 DHODH (0.48) DHODHMEN1GMNNALDH1A1LMNA
SCHEMBL23389039 0.87 MAPT (0.45) DHODHMEN1GMNNALDH1A1LMNA
SCHEMBL29968260 0.87 MAPT (0.45) DHODHMEN1GMNNALDH1A1LMNA
SCHEMBL23388887 0.84 MAPT (0.49) DHODHALDH1A1LMNAPTGS1MAPT
SCHEMBL29888359 0.84 MAPT (0.49) DHODHALDH1A1LMNAPTGS1MAPT
SCHEMBL23388925 0.84 MAPT (0.52) DHODHLMNAMAPTTLR7EPHX2
SCHEMBL31006762 0.84 MAPT (0.52) DHODHLMNAMAPTTLR7EPHX2
SCHEMBL22542860 0.82 EPHX2 (0.54) DHODHMEN1KMT2ATDP1EPHX2
SCHEMBL18049816 0.81 MAPT (0.55) DHODHMEN1PTGS1KMT2AMAPT
SCHEMBL4134533 0.80 DHODH (0.62) DHODHMEN1ALDH1A1CYP3A4KMT2A

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
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 CN disclosed