SCHEMBL29412857

SCHEMBL29412857

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 12/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ HTT P42858 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ UGT1A1 P22309 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ TEAD4 Q15561 1/20 0.46

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
SCHEMBL29412850 1.00 DHODH (0.49) DHODHHDAC6LMNAGAAMEN1
SCHEMBL25342511 1.00 DHODH (0.49) DHODHHDAC6LMNAGAAMEN1
SCHEMBL29412868 0.84 KIT (0.46) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25342226 0.84 KIT (0.46) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29412915 0.83 MAPT (0.43) LMNAGAAMEN1KMT2AHTT
SCHEMBL25345557 0.83 MAPT (0.43) LMNAGAAMEN1KMT2AHTT
SCHEMBL25342600 0.82 DHODH (0.59) DHODHLMNAGAAMEN1KMT2A
SCHEMBL29412847 0.82 DHODH (0.59) DHODHLMNAGAAMEN1KMT2A
SCHEMBL25343849 0.78 POLR1A (0.53) —
SCHEMBL29412873 0.78 POLR1A (0.53) —

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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