SCHEMBL5765833

SCHEMBL5765833

Cc1cccc(C(O)c2ccc3nnc(-c4ccccc4Cl)n3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.41
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
CTSA P10619 1/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK14 Q16539 2/20 0.35
NT5E P21589 1/20 0.34
MAPK13 O15264 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL14280077 0.88 HSD11B1 (0.43) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5767929 0.83 KDM4E (0.42) RAB9AKDM4EMAPK14NT5EPIM1
SCHEMBL5766205 0.81 HSD11B1 (0.41) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5763633 0.77 MAPK14 (0.50) MAPK14
SCHEMBL5763347 0.74 HSD11B1 (0.41) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5775392 0.70 NT5E (0.41) HSD11B1MAPK14NT5EPIM1
SCHEMBL13385743 0.69 HSD11B1 (0.53) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4072097 0.69 HSD11B1 (0.49) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15007237 0.69 HSD11B1 (0.52) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4825071 0.69 ALDH1A1 (0.48) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed