SCHEMBL11720058

SCHEMBL11720058

N#Cc1cccc(NC(=O)N2CCCC2CO)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ CCR2 P41597 1/20 0.52
▸ ROCK2 O75116 6/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL11719448 0.81 KMT2A (0.70) MAPTKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3605374 0.77 CYP2D6 (0.48) TSHRCCR2ALDH1A1MAPK1HIF1A
SCHEMBL321353 0.76 ROCK2 (0.68) ROCK2
SCHEMBL321354 0.76 ROCK2 (0.68) ROCK2
SCHEMBL5003118 0.76 HIF1A (0.69) KMT2ATSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL4611641 0.76 HIF1A (0.69) KMT2ATSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL7825778 0.75 CCR3 (0.75) —
SCHEMBL7821639 0.74 CCR3 (0.65) —
SCHEMBL321262 0.74 ROCK2 (0.68) ROCK2
SCHEMBL321263 0.74 ROCK2 (0.68) ROCK2

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-4065291-A Herbicidal 1-(2-hydroxymethylpyrrolidinyl) carboxanilides CHEVRON RESEARCH COMPANY (US) 1977-12-27 — — US disclosed
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