SCHEMBL5309014

SCHEMBL5309014

O=[N+]([O-])c1ccc2ccccc2c1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPRT1 P00492 1/20 0.56
TDP1 Q9NUW8 4/20 0.49
TSHR P16473 3/20 0.49
CASP6 P55212 1/20 0.47
CTSB P07858 2/20 0.47
CYP3A4 P08684 2/20 0.46
HNF4A P41235 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
RXRA P19793 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1645671 0.78 ALDH1A1 (0.62) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL187452 0.78 TSHR (0.65) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL9489459 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL7985136 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
Hydrochloric Acid SCHEMBL28323697 0.77 TSHR (0.62) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL1135597 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL9187297 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL5941163 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL3057901 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6
SCHEMBL28193811 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120365167-A Preparation method of 1-fluoro-2-nitronaphthalene 浙江雅辰药物科技股份有限公司 2025-07-25 CN disclosed
CN-120365167-A Preparation method of 1-fluoro-2-nitronaphthalene 浙江雅辰药物科技股份有限公司 2025-07-25 CN disclosed
WO-2007049124-A1 METHOD OF MAKING 8-FLUORO-NAPHTHALEN-1-YLAMINE AND RELATED COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-05-03 WO disclosed
US-6211174-B1 OSTEOPOROSIS; MILK PRODUCTION AND CARCASS QUALITY IN LIVESTOCK; SHORT STATURE; METABOLIC DISORDERS MERCK & CO., INC. 2001-04-03 US disclosed
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed