SCHEMBL8108945

SCHEMBL8108945

COC(=O)c1ccc(N)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TSHR P16473 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL69407 0.85 KDM4E (0.53) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL7860405 0.78 NPC1 (0.47) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL12748885 0.78 NPC1 (0.47) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL13804468 0.78 NPC1 (0.47) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL5172868 0.77 MCL1 (0.41) KDM4EMAPK1L3MBTL1ALDH1A1HSD17B10
SCHEMBL2722125 0.76 NPC1 (0.46) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL1277532 0.76 NPC1 (0.46) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL21448919 0.76 NPC1 (0.46) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL2176691 0.76 LOXL2 (0.44) NPC1KDM4EATMMAPK1L3MBTL1
SCHEMBL20651666 0.74 NPC1 (0.45) NPC1KDM4EATMMAPK1L3MBTL1

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-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed