SCHEMBL29915228

SCHEMBL29915228

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.49
▸ WDR77 Q9BQA1 4/20 0.49
▸ AR P10275 1/20 0.38
▸ ADRA1D P25100 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1B P35368 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32

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
SCHEMBL23087856 1.00 PRMT5 (0.49) PRMT5WDR77ARADRA1DADRA1A
SCHEMBL30753007 0.85 PRMT5 (0.45) PRMT5WDR77ARKMT2AMEN1
SCHEMBL29735119 0.84 PRMT5 (0.64) PRMT5WDR77ARADRA1DADRA1A
SCHEMBL23087741 0.84 PRMT5 (0.64) PRMT5WDR77ARADRA1DADRA1A
SCHEMBL30753115 0.81 PRMT5 (0.47) PRMT5WDR77PARP1HPGDMAPT
SCHEMBL23099083 0.77 PRMT5 (0.69) PRMT5WDR77ARADRA1DADRA1A
SCHEMBL23099038 0.71 PRMT5 (0.73) PRMT5WDR77ARPARP1POLB
SCHEMBL23099200 0.70 PRMT5 (0.59) PRMT5WDR77ARKMT2AMEN1
SCHEMBL23087447 0.70 PRMT5 (0.69) PRMT5WDR77ARKMT2AMEN1
SCHEMBL29735278 0.70 PRMT5 (0.69) PRMT5WDR77ARKMT2AMEN1

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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