SCHEMBL7326453

SCHEMBL7326453

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccnc(O)c2)C1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.38
TLR3 O15455 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 2/20 0.33
KCNE1 P15382 3/20 0.32
KCNQ1 P51787 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AKR1B1 P15121 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL7324022 0.91 ABCC9 (0.34) ABCC9TLR3LMNAMAPTHTT
SCHEMBL8084467 0.89 ABCC9 (0.38) ABCC9TLR3LMNAMAPTHTT
SCHEMBL8076897 0.83 ABCC9 (0.38) ABCC9LMNAHIF1AKCNE1KCNQ1
SCHEMBL7325580 0.83 ABCC9 (0.38) ABCC9KCNE1KCNQ1TDP1
SCHEMBL7331872 0.83 ABCC9 (0.33) ABCC9TLR3
SCHEMBL8184295 0.83 TLR3 (0.36) ABCC9TLR3LMNAMAPTHTT
SCHEMBL8085113 0.82 ABCC9 (0.36) ABCC9KCNE1KCNQ1TDP1
SCHEMBL8085194 0.81 ABCC9 (0.36) ABCC9
SCHEMBL8085025 0.81 AKR1B1 (0.33) ABCC9TLR3LMNAMAPTHTT
SCHEMBL7331673 0.80 ABCC9 (0.39) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed