SCHEMBL11248905

SCHEMBL11248905

Cn1c(C(=O)O)nc2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.59
LMNA P02545 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPBWR1 P48145 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
S1PR1 P21453 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL11248902 0.88 MEN1 (0.46) ACSS2LMNAEGLN1NPC1RAB9A
SCHEMBL11410279 0.79 ACSS2 (0.55) ACSS2LMNAEGLN1NPC1RAB9A
SCHEMBL17212254 0.75 ACSS2 (0.64) ACSS2NPC1RAB9ANPBWR1ALDH1A1
SCHEMBL18675004 0.74 ACSS2 (1.00) ACSS2
SCHEMBL760729 0.73 SMN1; SMN2 (0.57) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3753401 0.70 KDM4E (0.60) ACSS2LMNAAKR1C3AKR1C2ALDH1A1
SCHEMBL29281088 0.69 TDP1 (0.45) ACSS2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13844367 0.69 KDM4E (0.59) ACSS2LMNANPC1RAB9ANPBWR1
SCHEMBL20457044 0.68 ACSS2 (0.71) ACSS2
SCHEMBL11266333 0.67 SMN1; SMN2 (0.51) LMNANPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309551-A Quaternized, bridged benzimidazolylbenzimidazoles, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed