SCHEMBL8564975

SCHEMBL8564975

O=[N+]([O-])c1cccnc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL30615333 0.82 MAPK1 (0.51) PDE10AMEN1KMT2AALDH1A1RAB9A
SCHEMBL28500949 0.82 MAPK1 (0.51) PDE10AMEN1KMT2AALDH1A1RAB9A
SCHEMBL30113041 0.82 PDE10A (0.45) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL27504824 0.80 MEN1 (0.50) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL1333048 0.79 PDE10A (0.49) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL17806134 0.76 PDE10A (0.46) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL8570417 0.75 ALDH1A1 (0.59) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL2012766 0.75 ALDH1A1 (0.47) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL29508937 0.75 PDE10A (0.56) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL251800 0.75 PDE10A (0.56) PDE10APOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991873-A Low-dielectric fluorinated aromatic polyimide film and preparation method thereof 慧创(东莞)材料技术有限责任公司 2023-04-21 CN claimed
CN-110627714-A Synthetic method of 3-fluoro-2-trifluoromethyl isonicotinic acid 安庆博曼生物技术有限公司 2019-12-31 CN claimed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
CN-110627714-A Synthetic method of 3-fluoro-2-trifluoromethyl isonicotinic acid 安庆博曼生物技术有限公司 2019-12-31 CN disclosed
CN-110627714-A Synthetic method of 3-fluoro-2-trifluoromethyl isonicotinic acid 安庆博曼生物技术有限公司 2019-12-31 CN disclosed
CN-102652128-A 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters VERTEX PHARMA 2012-08-29 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
US-3937831-A CHLOROMETHYL NITROPYRIDINES AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1976-02-10 US disclosed