SCHEMBL9795357

SCHEMBL9795357

Cc1nc(OCc2cccc(C(F)(F)F)c2)c(C(=O)Nc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ LRRK2 Q5S007 2/20 0.46
▸ PPIA P62937 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9795392 0.87 NR4A2 (0.54) MRGPRX4MAPTL3MBTL1ALDH1A1GAA
SCHEMBL9795481 0.83 MAOB (0.49) MRGPRX4MAPTL3MBTL1ALDH1A1GAA
SCHEMBL9795318 0.82 MAPT (0.54) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL31261685 0.78 SGMS2 (0.58) KMT2AMEN1RECQLRAB9ALRRK2
SCHEMBL9876508 0.77 NR4A2 (0.45) MRGPRX4MAPTL3MBTL1ALDH1A1GAA
SCHEMBL9852638 0.76 MAOB (0.47) MRGPRX4MAPTL3MBTL1ALDH1A1GAA
SCHEMBL9795455 0.75 P2RY1 (0.56) KMT2AMAPTMEN1RAB9AL3MBTL1
SCHEMBL31261618 0.69 L3MBTL1 (0.68) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL21652300 0.68 KMT2A (0.65) KMT2AMAPTMEN1RECQLRAB9A
SCHEMBL6840816 0.68 NR1H4 (0.61) MRGPRX4KMT2AMAPTMEN1ALDH1A1

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
US-5057142-A Herbicidal thiazolecarboxamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 — — US disclosed
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