SCHEMBL29280459

SCHEMBL29280459

O=S1(=O)CCN(c2nc(CCl)nc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
ACHE P22303 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ACP1 P24666 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL637946 0.84 L3MBTL1 (0.60) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL638412 0.83 L3MBTL1 (0.63) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL24951311 0.81 HPGD (0.48) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL639370 0.81 KDM4E (0.64) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16695835 0.78 MAOB (0.52) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL18090295 0.75 HRH4 (0.43) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL14554786 0.74 SCN9A (0.44) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL1083907 0.73 SMAD3 (0.74) ALDH1A1MAPTL3MBTL1TSHRGAA
SCHEMBL639540 0.73 GBA1 (0.66) ACHEMEN1KMT2AGBA1TLR7
SCHEMBL31133354 0.73 GBA1 (0.66) ACHEMEN1KMT2AGBA1TLR7

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-4377305-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES BenevolentAI Cambridge Limited (GB) 2024-06-05 EP disclosed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN disclosed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed