SCHEMBL28601971

SCHEMBL28601971

O=C(NCCc1ccccc1F)c1ccc(Br)cn1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.72
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TRPV1 Q8NER1 1/20 0.48
CNR1 P21554 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
MAOB P27338 1/20 0.44

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 0.84 HIF1A (1.00) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28598211 0.84 HIF1A (1.00) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28345384 0.82 HIF1A (0.88) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28348077 0.81 HIF1A (0.86) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28347976 0.81 HIF1A (0.84) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28594259 0.81 HIF1A (0.84) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28347862 0.80 HIF1A (0.83) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28603560 0.79 HIF1A (1.00) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28348304 0.79 HIF1A (0.81) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL937246 0.78 HIF1A (0.62) HIF1ARAB9ANPC1MEN1KMT2A

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