SCHEMBL21539969

SCHEMBL21539969

C[C@@H]1CC=Cc2c1n(-c1ccccc1)c1cc(N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAT2A P31153 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ FGFR1 P11362 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
SCHEMBL21131691 0.84 MAPT (0.39) ALDH1A1KDM4EL3MBTL1
SCHEMBL18678288 0.80 NR1I2 (0.31) MAT2A
SCHEMBL22084993 0.79 MAT2A (0.32) MAT2A
SCHEMBL20460091 0.79 GAA (0.35) ALDH1A1KDM4ENPC1L3MBTL1FGFR1
SCHEMBL21388324 0.77 KDM4E (0.36) KDM4EL3MBTL1
SCHEMBL22415195 0.77 KDM4E (0.40) KDM4EL3MBTL1
SCHEMBL20707565 0.75 KDM4E (0.40) KDM4EL3MBTL1
SCHEMBL23341282 0.75 KMT2A (0.34) KDM4EL3MBTL1
SCHEMBL21155888 0.75 KDM4E (0.42) KDM4EL3MBTL1
SCHEMBL19570071 0.75 KDM4E (0.42) KDM4EL3MBTL1

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-3406597-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-10-30 — — EP disclosed
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