SCHEMBL11248902

SCHEMBL11248902

Cn1c(C(=O)O)nc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
ACSS2 Q9NR19 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
EGLN1 Q9GZT9 1/20 0.39
CCR2 P41597 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL11248905 0.88 ACSS2 (0.59) ACSS2CA1ALDH1A1LMNAAKR1C3
SCHEMBL11558680 0.78 CA12 (0.52) MEN1KMT2AACSS2CA12CA9
SCHEMBL11266333 0.76 SMN1; SMN2 (0.51) MEN1KMT2ARECQLLMNANPC1
SCHEMBL11488766 0.73 MEN1 (0.49) MEN1KMT2ARECQLCA12CA9
SCHEMBL10238322 0.73 ACSS2 (0.52) ACSS2CA12CA9CA1CA2
SCHEMBL2364886 0.73 PKM (0.44) MEN1KMT2APKMLMNACYP2D6
SCHEMBL3753401 0.73 KDM4E (0.60) ACSS2ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL760729 0.73 SMN1; SMN2 (0.57) RECQLALDH1A1LMNAGAANPC1
SCHEMBL11265258 0.72 ALDH1A1 (0.55) MEN1KMT2ARECQLALDH1A1LMNA
SCHEMBL11557258 0.72 ALDH1A1 (0.55) MEN1KMT2ARECQLCA12CA9

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 2 patents. 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
EP-0027897-A1 Bridged quaternary benzimidazolyl-benzimidazole derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-05-06 EP disclosed