SCHEMBL7324022

SCHEMBL7324022

CC1C(Oc2ccnc(O)c2)c2cc([N+](=O)[O-])ccc2OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TLR3 O15455 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AKR1B1 P15121 2/20 0.31
HIF1A Q16665 2/20 0.31
HSP90AA1 P07900 1/20 0.31
CACNA1C Q13936 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
SCHEMBL8184295 0.91 TLR3 (0.36) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL7326453 0.91 ABCC9 (0.38) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL7331096 0.83 LMNA (0.31) LMNA
SCHEMBL7331043 0.80 ABCC9 (0.46) ABCC9
SCHEMBL8085025 0.80 AKR1B1 (0.33) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL7331033 0.80 ABCC9 (0.35) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL8084467 0.80 ABCC9 (0.38) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL7321679 0.80 TLR3 (0.42) ABCC9MAPTHTTSMN1; SMN2LMNA
SCHEMBL7331872 0.74 ABCC9 (0.33) ABCC9TLR3
SCHEMBL7325580 0.73 ABCC9 (0.38) 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 6 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-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0629193-A4 PRODUCING ISOCYANATE TRIMERS USING POLYMER-BOUND CATALYSTS. 1995-01-11 EP disclosed
EP-0629193-A1 PRODUCING ISOCYANATE TRIMERS USING POLYMER-BOUND CATALYSTS OLIN CORPORATION (US) 1994-12-21 EP disclosed
WO-1993018014-A1 PRODUCING ISOCYANATE TRIMERS USING POLYMER-BOUND CATALYSTS OLIN CORPORATION (US) 1993-09-16 WO disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed