SCHEMBL26934136

SCHEMBL26934136

COc1c(-c2ncn(C3CCCCO3)n2)cccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
CHEK1 O14757 1/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
IL33 O95760 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYK2 P29597 3/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29359712 0.83 ALDH1A1 (0.38) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL22288355 0.83 ALDH1A1 (0.38) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL26934110 0.83 TYK2 (0.33) ALDH1A1CYP2C19TYK2JAK2
SCHEMBL20225765 0.82 MAPT (0.37) MAPTCHEK1NPC1ALDH1A1MEN1
SCHEMBL30536159 0.81 NPC1 (0.34) MAPTNPC1ALDH1A1S1PR1CYP1A2
SCHEMBL30660738 0.76 TYK2 (0.35) MAPTNPC1ALDH1A1MEN1S1PR1
SCHEMBL29607458 0.75 TYK2 (0.42) TYK2JAK2
SCHEMBL15690274 0.75 TYK2 (0.42) TYK2JAK2
SCHEMBL26931418 0.74 RAB9A (0.37) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL2145172 0.73 CYP1A2 (0.40) MAPTNPC1ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4538269-A1 SUBSTITUTED PYRIDAZINE-3-CARBOXAMIDE COMPOUND SERVING AS TYK2 INHIBITOR Guangzhou Fermion Technology Co., Ltd. (CN) 2025-04-16 EP disclosed
WO-2023236947-A1 SUBSTITUTED PYRIDAZINE-3-CARBOXAMIDE COMPOUND SERVING AS TYK2 INHIBITOR 广州费米子科技有限责任公司 2023-12-14 WO disclosed
CN-117186075-A Substituted pyridazine-3-carboxamide compounds as TYK2 inhibitors 广州费米子科技有限责任公司 2023-12-08 CN disclosed