SCHEMBL28601917

SCHEMBL28601917

O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccccc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 1.00
MAPT P10636 1/20 0.60
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
FAAH O00519 1/20 0.54
GCGR P47871 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
PLAAT3 P53816 2/20 0.53
PLAAT5 Q96KN8 2/20 0.53
PLAAT2 Q9NWW9 2/20 0.53
PLAAT4 Q9UL19 2/20 0.53
HTT P42858 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL28344799 0.89 HIF1A (1.00) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28614480 0.88 HIF1A (0.79) HIF1AMAPTFAAHGCGR
SCHEMBL28601911 0.86 HIF1A (0.85) HIF1AMAPTKMT2AMEN1NPC1
SCHEMBL13210596 0.84 HIF1A (0.72) HIF1AMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8162947 0.84 HIF1A (0.72) HIF1AMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28601907 0.82 HIF1A (0.81) HIF1AKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28607757 0.81 HIF1A (1.00) HIF1AKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28608835 0.81 HIF1A (0.85) HIF1ANPC1RAB9AFAAHEGLN1
SCHEMBL28601903 0.81 HIF1A (0.83) HIF1AALDH1A1NPC1RAB9AFAAH
SCHEMBL28347634 0.81 HIF1A (1.00) HIF1AKMT2AMEN1NPC1RAB9A

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-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed