SCHEMBL10623013

SCHEMBL10623013

CCOC(=O)C(C)Oc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PKM P14618 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ RAB9A P51151 1/20 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
SCHEMBL9527181 0.89 GABRB3 (0.42) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL20336295 0.82 ALDH1A1 (0.39) MAPTALDH1A1LMNANPSR1PKM
SCHEMBL10623513 0.82 LMNA (0.38) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10622980 0.79 GAA (0.40) MAPK1ALDH1A1LMNAPKMMEN1
SCHEMBL10625269 0.78 PKM (0.49) ALDH1A1PKML3MBTL1GABRA2GABRB2
SCHEMBL10623535 0.77 PKM (0.47) MAPK1MAPTALDH1A1LMNANPSR1
SCHEMBL9526617 0.70 PKM (0.47) MAPK1MAPTALDH1A1PKMMEN1
SCHEMBL9526634 0.70 PKM (0.49) MAPK1ALDH1A1LMNAPKMMEN1
SCHEMBL9530251 0.70 TDP1 (0.42) MAPK1MAPTALDH1A1LMNAMEN1
SCHEMBL10620613 0.69 PKM (0.43) MAPK1MAPTALDH1A1LMNANPSR1

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-4770692-A 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US claimed
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