SCHEMBL7962053

SCHEMBL7962053

c1ccc(-c2cccc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.51
HSD11B1 P28845 1/20 0.45
SETD7 Q8WTS6 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
MAPK14 Q16539 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DYRK1A Q13627 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
DHODH Q02127 1/20 0.40
ASH1L Q9NR48 2/20 0.38
BIRC5 O15392 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
METAP2 P50579 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL19942852 0.93 HTR6 (0.45) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL17366403 0.87 HTR6 (0.42) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL6847772 0.86 DYRK1A (0.47) HTR6HSD11B1MAPK14HSD17B10DYRK1A
SCHEMBL19867977 0.86 SETD7 (0.47) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL2190366 0.86 HTR6 (0.43) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL6846191 0.85 DHPS (0.50) HTR6HSD11B1MAPK14DYRK1AL3MBTL1
SCHEMBL2196465 0.83 SETD7 (0.51) HTR6HSD11B1SETD7EHMT2HSD17B10
SCHEMBL2194262 0.82 SETD7 (0.48) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL2193408 0.82 FGFR1 (0.49) HTR6HSD11B1SETD7EHMT2MAPK14
SCHEMBL22007114 0.81 SETD7 (0.39) HTR6HSD11B1SETD7EHMT2MAPK14

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-6297270-B1 HERBICIDE; DYES INTERMEDIATE, AMINO ACIDS, PHOTOSENSITIVE AND/OR THERMOSENSITIVE MATERIAL; COSMETICS; ANTIOXIDANT; ANGIOTENSIN(II) ANTAGONIST; CALCIUM CHANNEL BLOCKER, ENZYME INHIBITOR; POLYMERIZATION CATALYST AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-10-02 US disclosed
EP-1004579-A1 Process for the preparation of 2,3-Dihydroindoles (Indolines), certain 2,3-Dihydroindoles and their use Aventis Research & Technologies GmbH & Co KG (DE) 2000-05-31 EP disclosed