SCHEMBL28345259

SCHEMBL28345259

O=C(NCCc1ccccc1F)c1ccc(-c2ccsc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 12/20 1.00
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CHEK1 O14757 1/20 0.45
CHEK2 O96017 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
GCGR P47871 1/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL28598211 0.86 HIF1A (1.00) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28594259 0.85 HIF1A (0.84) HIF1ANPC1RAB9AKDM4EMEN1
SCHEMBL28345384 0.85 HIF1A (0.88) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28348077 0.84 HIF1A (0.86) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28344737 0.84 HIF1A (1.00) HIF1ANPC1RAB9AKDM4EMEN1
SCHEMBL28603560 0.83 HIF1A (1.00) HIF1ANPC1RAB9AKDM4EMEN1
SCHEMBL28347862 0.82 HIF1A (0.83) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28348304 0.81 HIF1A (0.81) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28347976 0.81 HIF1A (0.84) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL28344622 0.80 HIF1A (0.79) HIF1ANPC1RAB9AMEN1KMT2A

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