SCHEMBL4373002

SCHEMBL4373002

CCCc1nn(Cc2ccc(Br)cc2F)c(=O)c(C(=O)NCC(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.55
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EGLN1 Q9GZT9 4/20 0.47
EGLN3 Q9H6Z9 5/20 0.44
EGLN2 Q96KS0 3/20 0.44
MAPT P10636 1/20 0.41
HIF1A Q16665 2/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL16857372 0.89 EGLN3 (0.48) AKR1B1EGLN1EGLN3EGLN2HIF1A
SCHEMBL4355029 0.88 EGLN1 (0.47) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL4358358 0.88 EGLN3 (0.45) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL4365361 0.86 EGLN3 (0.42) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL4362443 0.85 EGLN3 (0.52) EGLN1EGLN3EGLN2PTGDR2
SCHEMBL4364439 0.85 EGLN3 (0.46) AKR1B1EGLN1EGLN3EGLN2PTGDR2
SCHEMBL4362515 0.85 EGLN3 (0.41) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL29895408 0.84 AKR1B1 (0.51) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL3852035 0.84 AKR1B1 (0.51) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL29895409 0.84 AKR1B1 (0.51) AKR1B1MEN1CYP1A2CYP2C9KMT2A

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
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed