SCHEMBL8314892

SCHEMBL8314892

COCC1(C)Oc2ccc([N+](=O)[O-])cc2CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
AKR1B1 P15121 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 2/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 3/20 0.35
PNMT P11086 4/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
PGR P06401 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8313494 0.89 TDP2 (0.39) TDP2AKR1B1MEN1KMT2AMAPT
SCHEMBL8794691 0.81 TDP2 (0.46) TDP2AKR1B1MEN1KMT2AMAPT
SCHEMBL8311388 0.73 TDP2 (0.41) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL8539954 0.71 NPC1 (0.44) AKR1B1MEN1KMT2AMAPTRAB9A
SCHEMBL23705313 0.71 MAPT (0.42) TDP2AKR1B1MEN1KMT2AMAPT
SCHEMBL10637355 0.70 AKR1B1 (0.48) TDP2AKR1B1MEN1KMT2AMAPT
SCHEMBL9736807 0.69 MALT1 (0.36) AKR1B1MEN1KMT2AMAPTRAB9A
SCHEMBL983449 0.68 MEN1 (0.51) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL7766759 0.68 MALT1 (0.51) TDP2AKR1B1MEN1KMT2AMAPT
SCHEMBL6987818 0.68 TLR3 (0.46) AKR1B1MEN1KMT2AMAPTTLR9

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
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed