SCHEMBL9693791

SCHEMBL9693791

Cc1ccc(N(C)C)c(C[S+]([O-])c2nc3ncccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NUDT1 P36639 1/20 0.35
LMNA P02545 1/20 0.34
PDE5A O76074 2/20 0.33
KCNMA1 Q12791 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP2C9 P11712 1/20 0.32
ATM Q13315 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
TP53 P04637 2/20 0.32
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL9695012 0.88 AURKA (0.39) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6481805 0.86 AURKA (0.41) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695823 0.86 PDE2A (0.45) AURKALMNAPDE5AALDH1A1NOS1
SCHEMBL9398067 0.83 ATP4A (0.42) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9693714 0.83 HPGD (0.39) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695028 0.82 AURKA (0.39) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695910 0.82 AURKA (0.39) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695861 0.79 AURKA (0.40) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695407 0.79 HPGD (0.36) AURKAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9695113 0.77 AURKA (0.43) AURKAHPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US 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