SCHEMBL21131691

SCHEMBL21131691

CC1CC=Cc2c1n(-c1cccc(N)c1)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ADRA2C P18825 1/20 0.35
▸ NPY1R P25929 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TNFSF11 O14788 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL25956652 0.89 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL22415195 0.89 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL21539969 0.84 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL21388324 0.79 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL23544455 0.79 ALDH1A1 (0.33) KDM4EALDH1A1ATML3MBTL1
SCHEMBL18568854 0.79 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL22185942 0.78 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL19003184 0.78 CHRNA7 (0.36) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL21845438 0.78 ATM (0.35) KDM4EALDH1A1ATML3MBTL1HTT
SCHEMBL20707565 0.77 KDM4E (0.40) KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502106-A1 TRIAZINE COMPOUNDS SUBSTITUTED WITH BULKY GROUPS Novaled GmbH (DE) 2019-06-26 — — EP disclosed
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