SCHEMBL9702156

SCHEMBL9702156

Cc1cc2ncc([S+]([O-])Cc3ccccn3)nc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 5/20 0.41
PDGFRB P09619 2/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRA P16234 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
KLK7 P49862 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 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
SCHEMBL6474241 0.85 PDE10A (0.42) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL9693697 0.82 HPGD (0.39) NPC1KDM4ERAB9APDGFRBKDR
SCHEMBL6454112 0.74 METAP2 (0.50) NPC1KDM4ERAB9AALDH1A1MAPT
SCHEMBL9695439 0.70 KDM4E (0.37) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6442940 0.68 CYP1A2 (0.37) NPC1KDM4ERAB9AALDH1A1MAPT
SCHEMBL11253725 0.67 MAOA (0.43) SMN1; SMN2ALDH1A1MAPTKMT2AGRIN1
Hydrochloric Acid SCHEMBL9756590 0.67 HRH1 (0.42) SMN1; SMN2ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6880565 0.67 CBFB (0.36) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL9668115 0.67 METAP2 (0.50) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL11183688 0.66 HRH1 (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US claimed
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP claimed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP claimed
US-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US disclosed
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP disclosed