SCHEMBL8102460

SCHEMBL8102460

CC(C)C(=O)NC1=Cc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
TDP2 O95551 1/20 0.45
G6PD P11413 1/20 0.45
PAX8 Q06710 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 5/20 0.45
TP53 P04637 3/20 0.44
MDM4 O15151 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MDM2 Q00987 1/20 0.42
CETP P11597 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL15690474 0.85 HDAC6 (0.62) CDC25ACDC25BTDP2G6PDPAX8
SCHEMBL8102187 0.81 RAB9A (0.51) CDC25ACDC25BTDP2G6PDPAX8
SCHEMBL8108519 0.77 MAPT (0.51) CDC25ACDC25BTDP2G6PDPAX8
SCHEMBL8102486 0.75 TDP2 (0.54) TDP2PAX8HKDC1ALDH1A1TP53
SCHEMBL18347803 0.74 S100A4 (0.58) CDC25BTDP2G6PDPAX8HKDC1
SCHEMBL8108363 0.73 SOAT1 (0.47) TDP2PAX8HKDC1ALDH1A1MEN1
SCHEMBL8106472 0.70 DHODH (0.49) TDP2ALDH1A1TP53MDM4MEN1
SCHEMBL8102448 0.70 HSP90AA1 (0.47) TDP2PAX8HKDC1ALDH1A1TP53
SCHEMBL13391074 0.69 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTRXFP1
SCHEMBL8100811 0.69 HSP90AA1 (0.46) CDC25ACDC25BTDP2PAX8HKDC1

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-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed