SCHEMBL10559340

SCHEMBL10559340

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.47
▸ MAPK1 P28482 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL10371785 0.88 MAPT (0.39) PKMMAPK1KMT2AMEN1POLB
SCHEMBL10565318 0.82 PKM (0.43) PKMMAPK1KMT2AMEN1POLB
SCHEMBL10565314 0.81 PKM (0.42) PKMMAPK1KMT2AMEN1POLB
SCHEMBL10522944 0.78 GABRB3 (0.41) PKMKMT2AMEN1ALDH1A1THRB
SCHEMBL10388695 0.78 MAPT (0.37) PKMMAPK1KMT2AMEN1POLB
SCHEMBL10562897 0.76 GAA (0.50) PKMMAPK1PTGS1PTGS2KMT2A
SCHEMBL1535809 0.76 PKM (0.39) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL9526617 0.75 PKM (0.47) PKMMAPK1KMT2AMEN1POLB
SCHEMBL10687409 0.75 PKM (0.47) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL10373706 0.75 MAPT (0.46) PKMMAPK1KMT2AMEN1POLB

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
US-4814001-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-03-21 — — US disclosed
US-4772310-A 5-acylamino-pyrazole derivatives, composition containing them, and their use as herbicides and plant growth BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 — — US disclosed
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 — — EP disclosed
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