SCHEMBL28348018

SCHEMBL28348018

O=C(NCCc1ccncc1)c1csc(-c2ccncc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
HIF1A Q16665 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
HDAC1 Q13547 4/20 0.55
HDAC3 O15379 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.53
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC2 Q92769 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL28348308 0.91 HDAC6 (0.65) HPGDHIF1ALMNAMAPTMAPK1
SCHEMBL11114421 0.89 HPGD (0.67) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL3436397 0.86 HPGD (0.68) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL28598419 0.86 HPGD (0.63) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL28606195 0.85 HIF1A (0.78) HPGDHIF1AMAPTHDAC8HDAC6
SCHEMBL28348350 0.84 P2RX7 (0.58) HPGDHIF1ALMNAMAPTHDAC1
SCHEMBL7703958 0.83 IRAK4 (0.66) HPGDHIF1ALMNAMAPTMEN1
SCHEMBL2555278 0.81 HPGD (0.72) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL11910582 0.81 MAPT (0.64) HPGDHIF1ALMNAMAPTHDAC1
SCHEMBL10272754 0.80 HPGD (0.66) HPGDLMNAMAPTHDAC1HDAC3

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