SCHEMBL29804247

SCHEMBL29804247

COC(=O)c1cc(I)nnc1Oc1ccc(F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL30678436 1.00 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL24683460 1.00 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL24682685 0.95 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL24683818 0.89 TRPA1 (0.42) CYP1A2CYP3A4CYP2C19
SCHEMBL30678399 0.88 HPGD (0.39) HPGDSMN1; SMN2SCN10A
SCHEMBL29804295 0.88 HPGD (0.39) HPGDSMN1; SMN2SCN10A
SCHEMBL24683531 0.88 HPGD (0.39) HPGDSMN1; SMN2SCN10A
SCHEMBL24682687 0.88 HPGD (0.41) CYP1A2CYP2C19ALDH1A1HPGDSMN1; SMN2
SCHEMBL29804297 0.88 HPGD (0.39) HPGDSMN1; SMN2SCN10A
SCHEMBL24682622 0.86 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2SCN10A

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-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed