SCHEMBL8645604

SCHEMBL8645604

Cc1ccc(-c2cccc3nn(O)nc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
ENPP1 P22413 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CRHR1 P34998 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
PARP1 P09874 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
SCHEMBL1263567 0.84 MET (0.38) ENPP1MEN1KMT2AMAPTNPSR1
SCHEMBL30418276 0.82 NPC1 (0.44) COMTENPP1NPC1RAB9AMEN1
SCHEMBL28566104 0.79 KDM4E (0.43) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL28519883 0.77 NPC1 (0.45) NPC1RAB9AMAPTGAAALDH1A1
SCHEMBL28713184 0.76 HSD11B1 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL31223179 0.74 RAB9A (0.39) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL28608544 0.74 KIF11 (0.43) KDM4EHPGDATM
SCHEMBL28861005 0.72 ALDH1A1 (0.40) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL2602433 0.69 MAPT (0.51) ENPP1NPC1RAB9AMEN1KMT2A
SCHEMBL31625394 0.69 CA2 (0.34) TDP1TSHRALDH1A1ATM

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
JP-10059987-A None JP disclosed
JP-H1059987-A DERIVATIVE OF 2-OXYPHENYLBENZOTRIAZOLE DIPHENYLPHOSPHINATE, UV ABSORBER AND RESIN COMPOSITION CONTAINING THE SAME NIPPON PAINT CO LTD 1998-03-03 JP disclosed