SCHEMBL4733674

SCHEMBL4733674

Cc1ccc(C2CCN(C(=O)c3ccc(C)c(N)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 1/20 0.52
FASN P49327 11/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.49
PROKR1 Q8TCW9 2/20 0.48
MAPT P10636 1/20 0.48
MGLL Q99685 1/20 0.47

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
SCHEMBL14209216 0.92 ALDH1A1 (0.52) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4175647 0.91 PARP10 (0.56) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4197739 0.90 FASN (0.61) ALDH1A1TP53HPGDFASNPROKR1
SCHEMBL16799271 0.90 HPGD (0.50) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4191753 0.90 PARP10 (0.58) ALDH1A1TP53HPGDFASNMEN1
SCHEMBL4735211 0.90 CA12 (0.58) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4731334 0.88 FASN (0.63) ALDH1A1HPGDFASNMEN1KMT2A
SCHEMBL4735697 0.88 LMNA (0.51) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4195205 0.88 ALDH1A1 (0.48) ALDH1A1TP53HPGDFASNLMNA
SCHEMBL4168210 0.87 FASN (0.64) FASN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed