SCHEMBL8108880

SCHEMBL8108880

C#CCC1=C(NC=O)C(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 5/20 0.44
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 7/20 0.35
LMNA P02545 7/20 0.35
HTT P42858 6/20 0.35
MITF O75030 4/20 0.35
NSD2 O96028 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 8/20 0.34
POLB P06746 3/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 6/20 0.33
CDC25B P30305 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33

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
SCHEMBL8093084 0.82 MAOA (0.36) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8106476 0.79 FGFR1 (0.46) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8092901 0.76 ALDH1A1 (0.45) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8100896 0.76 KMT2A (0.39) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8102505 0.76 HSP90AA1 (0.55) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8100703 0.76 MAOA (0.41) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8102537 0.75 LMNA (0.44) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8102167 0.74 DHODH (0.51) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL8102117 0.74 ALDH1A1 (0.40) KMT2AALDH1A1LMNAHTTMITF
SCHEMBL8100744 0.74 MAPT (0.51) MAOAMAOBKMT2AALDH1A1LMNA

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