SCHEMBL9065972

SCHEMBL9065972

O=S(=O)(Oc1ccccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.53
METAP2 P50579 1/20 0.53
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3100559 0.86 KEAP1 (0.51) METAP1METAP2ALDH1A1KDM4EKMT2A
SCHEMBL2880728 0.81 KDM4E (0.43) METAP1METAP2KDM4EPTGS2L3MBTL1
SCHEMBL27541104 0.80 METAP2 (0.56) METAP1METAP2ALDH1A1KDM4EKMT2A
SCHEMBL6512183 0.79 KDM4E (0.44) METAP1ALDH1A1KDM4EKMT2ATDP1
SCHEMBL28752448 0.79 KDM4E (0.42) METAP1METAP2KDM4EPTGS2L3MBTL1
SCHEMBL1360826 0.76 LMNA (0.41) METAP1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL6220452 0.76 TDP1 (0.43) METAP1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL3857735 0.76 LMNA (0.41) METAP1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL1407984 0.76 KDM4E (0.41) METAP1ALDH1A1KDM4EKMT2ATDP1
SCHEMBL538501 0.76 PDE4A (0.44) METAP1METAP2KDM4EKMT2APTGS2

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
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed
US-RE35177-E N-fluoropyridinium salt and process for preparing same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-03-12 US disclosed
EP-0494770-B1 Method for preparing N-fluoropyridinium salts ONODA CEMENT CO LTD (JP) 1995-05-10 EP disclosed
US-5336772-A Reacting pyridine compound, fluorine and Bronsted acid in specified ratios ONODA CEMENT CO., LTD. (JP) 1994-08-09 US disclosed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP disclosed
EP-0494770-A1 Method for preparing N-fluoropyridinium salts ONODA CEMENT COMPANY, LTD. (JP) 1992-07-15 EP disclosed
US-4996320-A Thyroid inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-02-26 US disclosed
CN-1042144-A Pesticidal compound ICI PLC (GB) 1990-05-16 CN disclosed
EP-0204535-A1 N-fluoropyridinium salt and process for preparing same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-10 EP disclosed