SCHEMBL28344653

SCHEMBL28344653

COc1cccc(-c2ccc(C(=O)NCCc3ccccc3F)nc2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 12/20 0.73
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NAAA Q02083 1/20 0.50
ROCK2 O75116 1/20 0.48
POLB P06746 1/20 0.48
DGAT2 Q96PD7 1/20 0.47
NQO2 P16083 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28348304 0.91 HIF1A (0.81) HIF1ANPC1RAB9A
SCHEMBL28347862 0.87 HIF1A (0.83) HIF1ANPC1RAB9A
SCHEMBL28344622 0.85 HIF1A (0.79) HIF1ANPC1RAB9A
SCHEMBL28598211 0.85 HIF1A (1.00) HIF1ANPC1RAB9A
SCHEMBL28347607 0.82 HIF1A (1.00) HIF1ANPC1RAB9AROCK2TP53
SCHEMBL28344732 0.82 HIF1A (0.73) HIF1ANPC1RAB9A
SCHEMBL28345384 0.82 HIF1A (0.88) HIF1ANPC1RAB9A
SCHEMBL28348077 0.81 HIF1A (0.86) HIF1ANPC1RAB9A
SCHEMBL28344737 0.81 HIF1A (1.00) HIF1ANPC1RAB9A
Fluorobenzene SCHEMBL28344654 0.81 ROCK2 (0.51) HIF1ANAAAROCK2DGAT2

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-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-110407824-A Aryl methanamide compounds and preparation method thereof, pharmaceutical composition and purposes UNIV ANHUI MEDICAL 2019-11-05 CN disclosed