SCHEMBL29181560

SCHEMBL29181560

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.37
▸ TRPA1 O75762 2/20 0.34
▸ MYC P01106 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MALT1 Q9UDY8 3/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ PKM P14618 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
SCHEMBL29019780 0.94 KMT2A (0.35) DHODHTRPA1KMT2AMALT1
SCHEMBL29181603 0.93 DHODH (0.36) DHODHTRPA1MYCKMT2AAVPR1A
Hydrochloric Acid SCHEMBL29181546 0.93 DHODH (0.36) DHODHTRPA1MYCKMT2AAVPR1A
SCHEMBL29181535 0.92 DHODH (0.37) DHODHTRPA1MYCKMT2ACNR1
SCHEMBL24397797 0.92 DHODH (0.37) DHODHTRPA1KMT2AAVPR1ACNR1
SCHEMBL29181519 0.92 DHODH (0.37) DHODHTRPA1AVPR1AMALT1RBP4
Hydrochloric Acid SCHEMBL29181579 0.91 DHODH (0.36) DHODHTRPA1MYCKMT2ACNR1
SCHEMBL29129837 0.91 DHODH (0.36) DHODHTRPA1AVPR1ASMN1; SMN2MALT1
SCHEMBL24397959 0.90 DHODH (0.39) DHODHMALT1RBP4
SCHEMBL28457040 0.90 DHODH (0.36) DHODHTRPA1AVPR1AMALT1RBP4

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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