SCHEMBL8085013

SCHEMBL8085013

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccccn2)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.41
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
PDE7A Q13946 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ADAM17 P78536 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TLR3 O15455 1/20 0.35

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
SCHEMBL8085199 0.82 ABCC9 (0.42) ABCC9NPC1RAB9A
SCHEMBL7323754 0.81 ABCC9 (0.39) ABCC9ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL7321412 0.81 ABCC9 (0.39) ABCC9ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7326453 0.80 ABCC9 (0.38) ABCC9KMT2AMEN1HTTMAPT
SCHEMBL8184473 0.80 ALDH1A1 (0.37) ABCC9ALDH1A1KMT2AMEN1PDE7A
SCHEMBL8088486 0.80 ABCC9 (0.42) ABCC9PKMHTTMAPTKDM4E
SCHEMBL7274240 0.80 ABCC9 (0.62) ABCC9KDM4E
SCHEMBL8084467 0.79 ABCC9 (0.38) ABCC9HTTMAPTSMN1; SMN2LMNA
SCHEMBL7331791 0.78 ABCC9 (0.40) ABCC9ALDH1A1KMT2AMEN1HTT
SCHEMBL9589058 0.78 ABCC9 (0.48) ABCC9TDP1

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-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