SCHEMBL29181558

SCHEMBL29181558

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL29181577 0.99 DHODH (0.35) DHODHSMN1; SMN2L3MBTL1TRPA1KMT2A
SCHEMBL29181588 0.95 DHODH (0.34) DHODHSMN1; SMN2TRPA1KMT2AMEN1
SCHEMBL29181563 0.95 DHODH (0.34) DHODHSMN1; SMN2L3MBTL1TRPA1
Hydrochloric Acid SCHEMBL29181549 0.94 DHODH (0.34) DHODHSMN1; SMN2L3MBTL1TRPA1
Hydrochloric Acid SCHEMBL29181593 0.94 DHODH (0.34) DHODHTRPA1
SCHEMBL29181551 0.93 DHODH (0.35) DHODHSMN1; SMN2L3MBTL1TRPA1KMT2A
SCHEMBL29181575 0.93 DHODH (0.35) DHODHSMN1; SMN2TRPA1KMT2AMEN1
SCHEMBL29181576 0.93 DHODH (0.36) DHODHSMN1; SMN2TRPA1KMT2AMEN1
Hydrochloric Acid SCHEMBL29181565 0.92 DHODH (0.35) DHODHSMN1; SMN2L3MBTL1KMT2AMYC
SCHEMBL28447668 0.92 DHODH (0.35) DHODHSMN1; SMN2KMT2AMEN1KDM4E

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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