SCHEMBL11275616

SCHEMBL11275616

Cc1cc(Cl)ccc1C(O)(Cc1ccccc1Cl)Cn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
OGG1 O15527 1/20 0.47
PTGS2 P35354 2/20 0.44
IDO1 P14902 1/20 0.44
CYP27B1 O15528 1/20 0.43
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
ADRA2C P18825 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP19A1 P11511 1/20 0.38
AR P10275 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 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
Nitric Acid SCHEMBL11277191 0.93 L3MBTL1 (0.44) PDCD1CD274OGG1PTGS2IDO1
SCHEMBL11268747 0.90 OGG1 (0.54) PDCD1CD274OGG1PTGS2IDO1
SCHEMBL11272937 0.87 OGG1 (0.47) PDCD1CD274OGG1PTGS2IDO1
Nitric Acid SCHEMBL11277347 0.85 CYP3A4 (0.50) PDCD1CD274OGG1PTGS2IDO1
Nitric Acid SCHEMBL11268604 0.84 OGG1 (0.48) PDCD1CD274OGG1PTGS2IDO1
SCHEMBL11266968 0.82 OGG1 (0.57) PDCD1CD274OGG1PTGS2IDO1
Nitric Acid SCHEMBL11268225 0.81 L3MBTL1 (0.44) PDCD1CD274OGG1PTGS2CYP27B1
SCHEMBL11257995 0.79 CYP11B1 (0.54) PDCD1CD274PTGS2CYP11B1CYP11B2
SCHEMBL11277194 0.79 IDO1 (0.41) PDCD1CD274OGG1PTGS2IDO1
SCHEMBL11262774 0.78 OGG1 (0.51) PDCD1CD274OGG1PTGS2IDO1

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
US-4358458-A BACTERICIDE, FUNGICIDES NORDMARK-WERKE GMBH (DE) 1982-11-09 US claimed