SCHEMBL11564474

SCHEMBL11564474

Cc1ccc(N(C)Cc2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.54
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
SRD5A2 P31213 2/20 0.45
TAS2R14 Q9NYV8 2/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL11560456 0.91 HCAR3 (0.61) HCAR3CXCR1CXCR2SRD5A2TAS2R14
SCHEMBL11565561 0.90 HCAR3 (0.66) HCAR3CXCR1CXCR2ALDH1A1SMN1; SMN2
SCHEMBL11564050 0.85 LMNA (0.43) HCAR3CXCR1CXCR2ALDH1A1SMN1; SMN2
SCHEMBL11565320 0.82 HCAR3 (0.64) HCAR3CXCR1CXCR2TAS2R14SMN1; SMN2
SCHEMBL16127982 0.82 HCAR3 (0.50) HCAR3CXCR1CXCR2TAS2R14ALDH1A1
SCHEMBL11567282 0.82 GAA (0.49) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL19618245 0.80 HCAR3 (0.51) HCAR3CXCR1CXCR2ALDH1A1SMN1; SMN2
SCHEMBL11561152 0.80 TDP1 (0.49) HCAR3CXCR1CXCR2ALDH1A1SMN1; SMN2
SCHEMBL17570335 0.79 HCAR3 (0.47) HCAR3CXCR1CXCR2TAS2R14SMN1; SMN2
SCHEMBL11568099 0.79 KDM4E (0.41) CXCR1CXCR2ALDH1A1SMN1; SMN2KMT2A

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-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 EP claimed
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 EP disclosed