SCHEMBL29965285

SCHEMBL29965285

COc1cnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.34
ZAP70 P43403 1/20 0.34
POLB P06746 1/20 0.34
PTGS2 P35354 1/20 0.34
ALPL P05186 2/20 0.34
STAT3 P40763 1/20 0.33

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
SCHEMBL23671355 1.00 MAPT (0.38) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL23691224 0.88 L3MBTL1 (0.37) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL29964531 0.88 L3MBTL1 (0.37) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL23691262 0.83 MAPT (0.41) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL29965518 0.83 TRPV4 (0.38) MAPTSMN1; SMN2TRPV4ALDH1A1POLB
SCHEMBL23663269 0.83 TRPV4 (0.38) MAPTSMN1; SMN2TRPV4ALDH1A1POLB
SCHEMBL26401753 0.82 MAPT (0.40) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL23663412 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HPGDLMNAALDH1A1MAPK1
SCHEMBL23691382 0.79 MAPT (0.38) MAPTSMN1; SMN2HPGDLMNACYP2C9
SCHEMBL7208834 0.79 PDE7A (0.42) MAPTSMN1; SMN2HPGDLMNACYP2C9

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
CN-115244037-B Substituted triazinones as thyroid hormone receptor agonists 诚益生物(美国)公司 2024-10-25 CN disclosed
EP-4090652-A1 SUBSTITUTED TRIAZINONES AS THYROID HORMONE RECEPTOR AGONISTS Eccogene (Shanghai) Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-115244037-A Substituted triazinones as thyroid hormone receptor agonists 上海诚益生物科技有限公司 2022-10-25 CN disclosed