SCHEMBL29865871

SCHEMBL29865871

CN1Cc2cccnc2-c2cccc([N+](=O)[O-])c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.39
PAX8 Q06710 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29866672 0.88 PDE10A (0.40) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL29866010 0.83 PDE10A (0.36) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL25897398 0.81 DRD4 (0.43) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL31607262 0.81 DRD4 (0.43) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL30697029 0.79 TDP1 (0.34) CYP1A2CYP2C9CYP2C19RAB9ANPC1
SCHEMBL29136423 0.77 CHRM2 (0.39) POLBLMNAPAX8MEN1KMT2A
SCHEMBL29865942 0.77 CHRM2 (0.39) POLBLMNAPAX8MEN1KMT2A
SCHEMBL26677657 0.75 MAPT (0.39) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL29866372 0.75 GAA (0.37) CYP1A2CYP2C9CYP2C19LMNARAB9A
SCHEMBL25573065 0.75 GAA (0.37) CYP1A2CYP2C9CYP2C19LMNARAB9A

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
EP-4294806-A1 TYK2 INHIBITORS AND USES THEREOF Sudo Biosciences Limited (GB) 2023-12-27 EP disclosed
WO-2022175746-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-08-25 WO disclosed