SCHEMBL8130313

SCHEMBL8130313

C=C(C(=O)c1ccc(OCCC)cc1)n1ccccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2N P61088 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40

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
SCHEMBL16057332 0.75 NAAA (0.46) UBE2NL3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL11764689 0.75 L3MBTL1 (0.60) L3MBTL1PLK1MAPTSMN1; SMN2RAB9A
SCHEMBL8135536 0.74 L3MBTL1 (0.54) UBE2NL3MBTL1PLK1MAPTSMN1; SMN2
SCHEMBL8123424 0.70 CYP1A2 (0.45) L3MBTL1PLK1MAPTSMN1; SMN2RAB9A
SCHEMBL50488 0.69 GAA (0.72) L3MBTL1PLK1MAPTSMN1; SMN2RAB9A
SCHEMBL10733626 0.68 L3MBTL1 (0.64) UBE2NL3MBTL1PLK1MAPTTSHR
SCHEMBL11802840 0.68 EGFR (0.54) L3MBTL1PLK1MAPTRAB9AALDH1A1
SCHEMBL6341040 0.68 L3MBTL1 (0.68) L3MBTL1PLK1MAPTTSHRKMT2A
SCHEMBL9046115 0.68 PLK1 (0.63) UBE2NL3MBTL1PLK1MAPTSMN1; SMN2
SCHEMBL28463603 0.67 HTT (0.60) UBE2NL3MBTL1PLK1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466408-B1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM & HAAS (US) 2000-01-12 — — EP disclosed
US-5798311-A INSECTICIDES ROHM AND HAAS COMPANY (US) 1998-08-25 — — US disclosed
EP-0466408-A1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM AND HAAS COMPANY (US) 1992-01-15 — — EP disclosed
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