SCHEMBL31722013

SCHEMBL31722013

O=C(NCCCCN1C(=O)C=CC1=O)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.58
DRD3 P35462 1/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
EPHX2 P34913 3/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NAMPT P43490 1/20 0.56
RAB9A P51151 2/20 0.55
THRB P10828 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 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
SCHEMBL31722077 0.99 NAMPT (0.58) HTR1AHTR2ADRD3ALDH1A1TSHR
SCHEMBL17822214 0.85 EPHX2 (0.75) ALDH1A1EPHX2KEAP1NFE2L2SMN1; SMN2
SCHEMBL29410981 0.84 HDAC1 (0.56) ALDH1A1SMN1; SMN2NAMPTRAB9ANPC1
SCHEMBL9763664 0.83 EPHX2 (0.73) HTR1AHTR2ADRD3ALDH1A1EPHX2
SCHEMBL5483064 0.83 EPHX2 (0.73) HTR1AHTR2ADRD3ALDH1A1EPHX2
SCHEMBL9809561 0.82 RAB9A (0.76) ALDH1A1EPHX2KEAP1NFE2L2SMN1; SMN2
SCHEMBL29444954 0.79 NPC1 (0.55) ALDH1A1EPHX2SMN1; SMN2NAMPTRAB9A
SCHEMBL28274295 0.79 EPHX2 (0.68) ALDH1A1EPHX2KEAP1NFE2L2SMN1; SMN2
SCHEMBL25328235 0.79 THRB (0.77) ALDH1A1EPHX2KEAP1NFE2L2SMN1; SMN2
SCHEMBL16323089 0.78 THRB (0.67) HTR1AHTR2ADRD3ALDH1A1EPHX2

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
WO-2025229086-A1 ADHESIVE COSMETIC COMPOUNDS AND USES THEREOF SKINOSIVE (FR) 2025-11-06 WO disclosed