SCHEMBL9147151

SCHEMBL9147151

CC1(C)CN(C2=CCCC2=O)c2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
LMNA P02545 1/20 0.35
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
AKR1B1 P15121 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL9845576 0.91 AKR1B1 (0.37) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL756044 0.75 NR3C2 (0.60) POLBTDP1LMNANR3C2ALDH1A1
SCHEMBL4268382 0.75 MAPT (0.43) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL2268117 0.73 NR3C2 (0.44) LMNANR3C2ALDH1A1KMT2AMAPT
SCHEMBL27414020 0.73 MAPT (0.42) CASP6POLBLMNAALDH1A1KMT2A
SCHEMBL9146981 0.72 L3MBTL1 (0.45) CASP6POLBLMNANR3C2ALDH1A1
Hydrochloric Acid SCHEMBL9143208 0.71 L3MBTL1 (0.44) CASP6POLBLMNANR3C2ALDH1A1
SCHEMBL758128 0.70 ALDH1A1 (0.36) CASP6TDP1MALT1LMNANR3C2
SCHEMBL5140408 0.70 NR3C2 (0.41) TDP1LMNANR3C2ALDH1A1KMT2A
SCHEMBL9143544 0.67 AKR1B1 (0.42) CASP6TDP1MALT1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420126-A Potassium channel activators YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0432893-A2 Benzoxazine derivatives, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-06-19 EP disclosed