SCHEMBL25213864

SCHEMBL25213864

O=C1c2ccccc2C(=O)N1Cc1n[nH]c(=O)c2ncc(Br)cc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 5/20 0.69
▸ WDR77 Q9BQA1 4/20 0.69
▸ USP2 O75604 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ DYRK1B Q9Y463 2/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ CYP1B1 Q16678 2/20 0.35
▸ RECQL P46063 1/20 0.34

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
SCHEMBL30833176 1.00 PRMT5 (0.69) PRMT5WDR77USP2PARP1MEN1
SCHEMBL29735224 0.81 PRMT5 (0.90) PRMT5WDR77PARP1GRM5TYR
SCHEMBL23087341 0.81 PRMT5 (0.90) PRMT5WDR77PARP1GRM5TYR
SCHEMBL23087458 0.81 PRMT5 (1.00) PRMT5WDR77PARP1GRM5RAB9A
SCHEMBL30431001 0.80 PRMT5 (0.44) PRMT5WDR77PARP1ALDH1A1DYRK1B
SCHEMBL23087447 0.79 PRMT5 (0.69) PRMT5WDR77PARP1MEN1KMT2A
SCHEMBL29735278 0.79 PRMT5 (0.69) PRMT5WDR77PARP1MEN1KMT2A
SCHEMBL23087513 0.78 PRMT5 (0.67) PRMT5WDR77PARP1MAPTCYP1B1
SCHEMBL29735135 0.78 PRMT5 (0.67) PRMT5WDR77PARP1MAPTCYP1B1
SCHEMBL23099038 0.76 PRMT5 (0.73) PRMT5WDR77PARP1SMN1; SMN2

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-117730075-A Pyrazole derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-03-19 — — CN disclosed
WO-2023098439-A1 PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 上海和誉生物医药科技有限公司 2023-06-08 — — WO disclosed
WO-2023098439-A1 PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 上海和誉生物医药科技有限公司 2023-06-08 — — WO disclosed
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