SCHEMBL29181554

SCHEMBL29181554

CCCCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)c1c(Cl)cc(Br)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.34
▸ S1PR1 P21453 3/20 0.33
▸ S1PR3 Q99500 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30

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
Hydrochloric Acid SCHEMBL29181522 0.99 DHODH (0.34) DHODHS1PR1S1PR3
SCHEMBL29181538 0.95 DHODH (0.34) DHODHS1PR1
SCHEMBL29181551 0.95 DHODH (0.35) DHODH
Hydrochloric Acid SCHEMBL29181540 0.94 DHODH (0.33) DHODHS1PR1
Hydrochloric Acid SCHEMBL29181565 0.94 DHODH (0.35) DHODH
SCHEMBL29181588 0.93 DHODH (0.34) DHODHS1PR1S1PR3
SCHEMBL29181521 0.93 DHODH (0.34) DHODHS1PR1
Hydrochloric Acid SCHEMBL29181593 0.92 DHODH (0.34) DHODHS1PR1S1PR3
SCHEMBL29181524 0.91 DHODH (0.36) DHODH
Hydrochloric Acid SCHEMBL29181543 0.90 DHODH (0.36) DHODH

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
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN claimed
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN disclosed
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