SCHEMBL29506352

SCHEMBL29506352

O=[N+]([O-])c1ccc2c(c1)C(F)(F)C=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
STAT3 P40763 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.40
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL29506347 1.00 HIF1A (0.47) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL22833544 1.00 HIF1A (0.47) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL14445100 0.73 ADRA2A (0.42) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL17474770 0.72 PTPRC (0.52) HIF1AMEN1KMT2ARAB9AALDH1A1
SCHEMBL9162401 0.71 TSHR (0.44) HIF1AMEN1KMT2ANPC1STAT3
Ammonia Solution, Strong SCHEMBL21245860 0.70 TSHR (0.43) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL9122070 0.70 HIF1A (0.53) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL8773020 0.69 ALDH1A1 (0.43) HIF1AALDH1A1TSHRLMNATDP1
SCHEMBL30065909 0.68 TLR3 (0.59) HIF1AMEN1KMT2ANPC1STAT3
SCHEMBL2861820 0.68 TLR3 (0.59) HIF1AMEN1KMT2ANPC1STAT3

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-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed