SCHEMBL28601907

SCHEMBL28601907

O=C(NCCc1cccnc1)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.81
PTAFR P25105 4/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NAMPT P43490 2/20 0.55
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FAAH O00519 1/20 0.52
LMNA P02545 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 0.90 HIF1A (1.00) HIF1ANPC1RAB9ASMN1; SMN2FAAH
SCHEMBL28607757 0.88 HIF1A (1.00) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28608835 0.82 HIF1A (0.85) HIF1ANPC1RAB9AFAAH
SCHEMBL28601911 0.82 HIF1A (0.85) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28601917 0.82 HIF1A (1.00) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28614480 0.82 HIF1A (0.79) HIF1AFAAHLMNA
SCHEMBL28347634 0.81 HIF1A (1.00) HIF1AMEN1KMT2ANPC1RAB9A
SCHEMBL28601903 0.81 HIF1A (0.83) HIF1ANPC1RAB9AALDH1A1FAAH
SCHEMBL28596560 0.81 HIF1A (0.83) HIF1ANPC1RAB9AFAAH
SCHEMBL28606401 0.80 HIF1A (0.72) HIF1AKMT2ANPC1RAB9AALDH1A1

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