SCHEMBL29915208

SCHEMBL29915208

O=C1c2ccccc2C(=O)N1Cc1n[nH]c(=O)c2c(C(F)F)cc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 6/20 0.64
▸ WDR77 Q9BQA1 5/20 0.64
▸ PARP1 P09874 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP1B1 Q16678 5/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL27002267 1.00 PRMT5 (0.64) PRMT5WDR77PARP1MAPTRECQL
SCHEMBL31496831 0.84 PRMT5 (0.60) PRMT5WDR77PARP1MAPTCYP1B1
SCHEMBL23087447 0.84 PRMT5 (0.69) PRMT5WDR77PARP1MAPTRECQL
SCHEMBL29735278 0.84 PRMT5 (0.69) PRMT5WDR77PARP1MAPTRECQL
SCHEMBL29735135 0.83 PRMT5 (0.67) PRMT5WDR77PARP1MAPTRECQL
SCHEMBL23087513 0.83 PRMT5 (0.67) PRMT5WDR77PARP1MAPTRECQL
SCHEMBL23087741 0.83 PRMT5 (0.64) PRMT5WDR77PARP1CYP1B1ADRA1D
SCHEMBL29735119 0.83 PRMT5 (0.64) PRMT5WDR77PARP1CYP1B1ADRA1D
SCHEMBL29915065 0.81 PRMT5 (0.61) PRMT5WDR77PARP1CYP1B1ADRA1D
SCHEMBL27002364 0.81 PRMT5 (0.61) PRMT5WDR77PARP1CYP1B1ADRA1D

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
EP-4304720-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192745-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-09-15 — — WO disclosed
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