SCHEMBL8600289

SCHEMBL8600289

CCCCCc1ncccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PAX8 Q06710 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP2C9 P11712 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
SCHEMBL18962665 0.98 PKM (0.45) PKMPDE10AALDH1A1POLBCYP1A2
SCHEMBL9591091 0.89 PKM (0.52) PKMPDE10AALDH1A1POLBCYP1A2
SCHEMBL11608238 0.84 PDE10A (0.45) PDE10AALDH1A1POLBCYP1A2TSHR
SCHEMBL4772801 0.83 PDE10A (0.46) PDE10AALDH1A1POLBCYP1A2TSHR
SCHEMBL30425516 0.82 PDE10A (0.51) PKMPDE10AALDH1A1POLBCYP1A2
SCHEMBL9986678 0.82 PDE10A (0.51) PKMPDE10AALDH1A1POLBCYP1A2
SCHEMBL253174 0.81 KDM4E (0.43) PKMPDE10AALDH1A1POLBCYP1A2
SCHEMBL9656794 0.79 FFAR1 (0.52) PDE10AALDH1A1POLBCYP1A2TSHR
SCHEMBL11097786 0.79 ALDH1A1 (0.43) PDE10AALDH1A1POLBCYP1A2TSHR
SCHEMBL6369459 0.79 PDE10A (0.49) PDE10AALDH1A1POLBCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573326-B Novel benzotriazole derivative and organic electroluminescent device using the same 保土谷化学工业株式会社 2024-03-15 CN disclosed
EP-2767534-B1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED HODOGAYA CHEMICAL CO LTD (JP) 2020-06-03 EP disclosed
US-9123897-B2 Benzotriazole derivatives and organic electroluminescent devices using the derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140374721-A1 NOVEL BENZOTRIAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE DERIVATIVES HODOGAYA CHEMICAL CO., LTD (JP) 2014-12-25 US disclosed
EP-2767534-A1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED Hodogaya Chemical Co., Ltd. (JP) 2014-08-20 EP disclosed
CN-103857671-A Novel benzotriazole derivative and organic electroluminescent device using the same HODOGAYA CHEMICAL CO LTD 2014-06-11 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed