SCHEMBL8102674

SCHEMBL8102674

CCCNc1c[nH]c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.55
BAZ2A Q9UIF9 1/20 0.55
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8749077 0.83 TDP1 (0.42) BAZ2BBAZ2AGAACYP1A2
SCHEMBL8103043 0.79 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL653318 0.77 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL15318252 0.76 BAZ2B (0.50) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL4544349 0.75 BAZ2B (0.62) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9908199 0.75 BAZ2B (0.57) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL1298467 0.73 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL29191043 0.72 BAZ2B (0.77) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL25815377 0.71 BAZ2B (1.00) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9285452 0.71 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A

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