SCHEMBL27384409

SCHEMBL27384409

Cc1oc(-c2ccc3ccccc3c2)nc1Cc1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
UTRN P46939 3/20 0.40
AHR P35869 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5574239 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL1051303 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL503956 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL4885518 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL31180799 0.74 PPARG (0.48) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL4924238 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL16072944 0.72 CYP1A2 (0.58) ALDH1A1MEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL7492407 0.71 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL8134136 0.70 KDM4E (0.54) ALDH1A1MEN1KMT2APOLBL3MBTL1
2-Naphthaldehyde SCHEMBL5206558 0.68 DRD2 (0.45) ALDH1A1MEN1KMT2APOLBL3MBTL1

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
CN-1068326-C Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 CN disclosed
CN-1124246-A Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 CN disclosed