SCHEMBL29412915

SCHEMBL29412915

O=CCNC(=O)c1cccnc1Nc1cc2c(cc1Br)OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MT-CO2 P00403 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ KIT P10721 7/20 0.35
▸ BRAF P15056 7/20 0.35

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
SCHEMBL25345557 1.00 MAPT (0.43) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL29412868 0.87 KIT (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL25342226 0.87 KIT (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL29412857 0.83 DHODH (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL29412850 0.83 DHODH (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL25342511 0.83 DHODH (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL25343849 0.81 POLR1A (0.53) KITBRAF
SCHEMBL29412873 0.81 POLR1A (0.53) KITBRAF
SCHEMBL25345879 0.80 POLR1A (0.42) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL29412835 0.80 POLR1A (0.42) MAPTMEN1KMT2ANPSR1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022060799-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 — — WO disclosed
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