SCHEMBL11445555

SCHEMBL11445555

CC1Nc2ccccc2N2CCc3cc(Cl)cc1c32

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTPN1 P18031 3/20 0.36
▸ HTR2C P28335 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ SRD5A1 P18405 6/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL11446101 0.84 MAPT (0.39) MAPTKDM4EALDH1A1GAABRD4
SCHEMBL11445269 0.82 PTPN1 (0.39) MAPTKDM4EALDH1A1PTPN1HTR2C
SCHEMBL11453539 0.75 HSD17B3 (0.37) MAPTGSK3BL3MBTL1ALOX15
Hydrochloric Acid SCHEMBL11446361 0.74 HSD17B3 (0.36) MAPTGSK3BL3MBTL1ALOX15
SCHEMBL10620834 0.71 GSK3B (0.42) MAPTALDH1A1GAAGSK3BTSHR
SCHEMBL10542749 0.68 GAA (0.32) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL11446349 0.68 MEN1 (0.41) MAPTKDM4EALDH1A1GAABRD4
SCHEMBL10475097 0.66 HTR2A (0.40) HTR2CMAPK1
SCHEMBL10542971 0.66 MAPT (0.44) MAPTKDM4EALDH1A1HTR2CTSHR
SCHEMBL10621317 0.66 GSK3B (0.44) MAPTGSK3BTSHRALOX15BRCA1

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-4186199-A Indolo-,1,2-dihydroindolo-, and 1,2,6,7-tetrahydroindolo [1,7-ab][1,5] benzodiazepines AMERICAN HOECHST CORPORATION (US) 1980-01-29 — — US claimed
US-4186199-A Indolo-,1,2-dihydroindolo-, and 1,2,6,7-tetrahydroindolo [1,7-ab][1,5] benzodiazepines AMERICAN HOECHST CORPORATION (US) 1980-01-29 — — US disclosed
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