SCHEMBL10369751

SCHEMBL10369751

O=C(C[S+]([O-])c1ccccc1)Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ P2RX1 P51575 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ LMNA P02545 4/20 0.36

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
SCHEMBL10372025 0.83 ALDH1A1 (0.47) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL10371785 0.83 MAPT (0.39) MAPTP2RX1PKMMEN1KMT2A
SCHEMBL10522944 0.82 GABRB3 (0.41) PKMMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10659189 0.80 MAPT (0.40) MAPTP2RX1PKMMEN1KMT2A
SCHEMBL10562897 0.80 GAA (0.50) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL10388695 0.80 MAPT (0.37) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL10372026 0.79 PKM (0.40) MAPTP2RX1PKMMEN1KMT2A
SCHEMBL10627213 0.78 GABRB3 (0.40) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL10625006 0.78 L3MBTL1 (0.42) MAPTPKMMEN1KMT2APOLB
SCHEMBL10627175 0.77 TDP1 (0.39) MAPTP2RX1PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 — — EP disclosed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 — — EP disclosed
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