SCHEMBL9528482

SCHEMBL9528482

Cc1nc2c(OCc3ccc(F)cc3)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DHODH Q02127 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7619109 0.89 DRD2 (0.67) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL9528411 0.88 DRD2 (0.53) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL7614912 0.83 DRD2 (0.48) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL7612954 0.80 DRD2 (0.53) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL9528492 0.78 MAPT (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9529209 0.78 DRD2 (0.71) DRD2DRD4DRD3SMN1; SMN2DHODH
SCHEMBL18304068 0.75 DRD2 (0.51) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL13165012 0.74 DRD2 (0.60) KMT2ADRD2DRD4DRD3MAPT
SCHEMBL9951462 0.74 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4611125 0.74 ALDH1A1 (0.55) NPC1RAB9ADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed