SCHEMBL8664804

SCHEMBL8664804

COc1ccc2onc(C(C)=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL8663270 0.88 HIF1A (0.49) ALDH1A1HTTLMNATSHRHIF1A
SCHEMBL13576772 0.78 HIF1A (0.41) ALDH1A1LMNAHIF1ASMN1; SMN2KDM4E
SCHEMBL17454454 0.78 FAAH (0.54) ALDH1A1HIF1ASMN1; SMN2KDM4EHPGD
SCHEMBL4503642 0.77 ALDH1A1 (0.47) ALDH1A1HTTLMNATSHRHIF1A
SCHEMBL2710678 0.77 ALDH1A1 (0.47) ALDH1A1HTTLMNATSHRHIF1A
SCHEMBL6990506 0.75 BRD4 (0.49) ALDH1A1HTTLMNATSHRSMN1; SMN2
SCHEMBL23115220 0.75 MAPT (0.68) ALDH1A1HTTLMNATSHRSMN1; SMN2
SCHEMBL11798029 0.74 MAPT (0.51) ALDH1A1HTTLMNATSHRSMN1; SMN2
SCHEMBL29652612 0.73 ALDH1A1 (0.47) ALDH1A1HTTLMNATSHRSMN1; SMN2
SCHEMBL6955470 0.73 ALDH1A1 (0.47) ALDH1A1HTTLMNATSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786374-A FUNGICIDES, MICROBIOCIDES NOVARTIS CORPORATION (US) 1998-07-28 US disclosed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO disclosed