SCHEMBL8934539

SCHEMBL8934539

Cc1ccc(NCc2cc(=O)oc3ccccc23)cc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 4/20 0.55
MAOB P27338 1/20 0.55
HSD17B3 P37058 1/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL23861286 0.74 NQO1 (0.56) HSD17B3SMN1; SMN2ACHENPC1LMNA
SCHEMBL8372531 0.73 HSD17B3 (0.62) HSD17B3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6481670 0.71 MAOB (0.46) ALBMAOBMAPTKMT2AMEN1
SCHEMBL6482983 0.71 MAOB (0.45) ALBMAOBMAPTKMT2AMEN1
SCHEMBL5459900 0.70 CA12 (0.61) MAOBHSD17B3ACHEALDH1A1HPGD
SCHEMBL18138409 0.70 NQO1 (0.58) HSD17B3MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL30486066 0.70 CA12 (0.61) MAOBHSD17B3ACHEALDH1A1HPGD
SCHEMBL66891 0.69 MAOA (0.74) MAOBHSD17B3KMT2ASMN1; SMN2NPC1
SCHEMBL29474940 0.69 MAOA (0.74) MAOBHSD17B3KMT2ASMN1; SMN2NPC1
SCHEMBL24486980 0.69 NPC1 (0.50) MAOBHSD17B3MAPTKMT2ASMN1; 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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed