SCHEMBL31713019

SCHEMBL31713019

CC(C)(C)c1ccnc(Cc2ccccc2N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MBOAT4 Q96T53 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NR3C2 P08235 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ AR P10275 1/20 0.33
▸ MAPK10 P53779 1/20 0.33

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
SCHEMBL31713021 0.81 KIF11 (0.36) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL16544499 0.78 HPGD (0.42) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL24852121 0.73 GRIA2 (0.40) ALDH1A1MEN1KMT2ANPSR1KIF11
SCHEMBL7112576 0.73 L3MBTL1 (0.55) ALDH1A1MAPTL3MBTL1
SCHEMBL1908511 0.73 KIF11 (0.39) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL24852625 0.72 HSP90AB1 (0.41) MEN1KMT2APOLBADRA2AADRA2B
SCHEMBL1908532 0.71 POLB (0.46) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL19214824 0.70 KIF11 (0.37) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL21475711 0.70 KIF11 (0.41) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL16450606 0.70 KCNH2 (0.43) ALDH1A1MEN1KMT2APOLBNPSR1

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
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 — — US disclosed
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