SCHEMBL11720518

SCHEMBL11720518

O=C(Nc1ccc(Br)cc1)N1CCCC1CO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.54
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ THRB P10828 2/20 0.51
▸ TRPV1 Q8NER1 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ COL1A1 P02452 1/20 0.47
▸ CCR2 P41597 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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 0.86 KMT2A (0.70) EPHX2ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11718912 0.83 EPHX2 (0.67) EPHX2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11718519 0.80 L3MBTL1 (0.58) EPHX2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14413643 0.79 EPHX2 (0.77) EPHX2ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL966968 0.78 SPHK2 (0.55) L3MBTL1POLB
SCHEMBL966970 0.78 SPHK2 (0.55) L3MBTL1POLB
SCHEMBL970102 0.78 SPHK2 (0.55) L3MBTL1POLB
SCHEMBL13873300 0.76 EPHX2 (1.00) EPHX2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL11720058 0.74 MAPT (0.57) EPHX2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11720348 0.73 ALDH1A1 (0.51) EPHX2ALDH1A1RAB9ANPC1SMN1; SMN2

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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