SCHEMBL16190023

SCHEMBL16190023

CC1Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
PNMT P11086 7/20 0.50
ADRA2A P08913 5/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
AKR1B1 P15121 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28876770 0.81 PNMT (0.43) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL28284898 0.81 PNMT (0.43) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL9818948 0.80 PBRM1 (0.60) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL28016153 0.78 PNMT (0.42) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL12227742 0.78 ALDH1A1 (0.42) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL8035992 0.78 PNMT (0.45) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL14421919 0.77 PNMT (0.42) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL14780632 0.77 MEN1 (0.43) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL13712678 0.77 AKR1B1 (0.43) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL8118210 0.76 CHRNB4 (0.57) TDP1PNMTADRA2AADRA2BADRA2C

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
CN-105026392-B 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof 四川海思科制药有限公司 2017-05-10 CN disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
CN-104109165-A 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives, and preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-10-22 CN disclosed