SCHEMBL8135536

SCHEMBL8135536

CCCOc1ccc(C(=O)Cn2ccccc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ THRB P10828 3/20 0.49
▸ MITF O75030 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ HRH2 P25021 3/20 0.44
▸ HRH1 P35367 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM2 P08172 1/20 0.44

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
SCHEMBL10871532 0.83 NPC1 (0.59) MAPTRAB9AALDH1A1NPC1LMNA
SCHEMBL10872044 0.79 TSHR (0.54) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10656937 0.78 TSHR (0.59) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL9685245 0.76 MAPT (0.58) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL20042582 0.76 SMN1; SMN2 (0.56) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL8130313 0.74 UBE2N (0.45) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7629413 0.74 L3MBTL1 (0.66) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7632695 0.73 L3MBTL1 (0.74) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL8172219 0.73 L3MBTL1 (0.74) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL10871644 0.72 CDYL2 (0.59) MAPTSMN1; SMN2RAB9ANPC1TSHR

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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