SCHEMBL28347607

SCHEMBL28347607

COc1ccccc1-c1ccc(C(=O)NCCc2ccccc2F)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 1.00
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
TP53 P04637 1/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 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
SCHEMBL28344737 0.88 HIF1A (1.00) HIF1AMEN1KMT2AKCNH2SCN5A
SCHEMBL28348304 0.87 HIF1A (0.81) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28347976 0.84 HIF1A (0.84) HIF1AMEN1KMT2AKCNH2SCN5A
SCHEMBL28345384 0.84 HIF1A (0.88) HIF1AMEN1KMT2AKCNH2SCN5A
SCHEMBL28598211 0.83 HIF1A (1.00) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28344653 0.82 HIF1A (0.73) HIF1ATP53ROCK2NPC1RAB9A
SCHEMBL28348077 0.81 HIF1A (0.86) HIF1AMEN1KMT2AKCNH2SCN5A
SCHEMBL28345377 0.81 HIF1A (1.00) HIF1AMEN1KMT2AKCNH2SCN5A
SCHEMBL28594259 0.80 HIF1A (0.84) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28608102 0.80 HIF1A (0.76) HIF1AMEN1KMT2AROCK2ROCK1

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
CN-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed
CN-112426422-A Application of pyridine carboxamide derivative AMSP-30m in preparation of drugs for preventing and treating rheumatoid arthritis 安徽医科大学 2021-03-02 CN disclosed
CN-110407824-A Aryl methanamide compounds and preparation method thereof, pharmaceutical composition and purposes UNIV ANHUI MEDICAL 2019-11-05 CN disclosed