SCHEMBL23135871

SCHEMBL23135871

C=C/C=N\c1c(C)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ GAA P10253 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ AHR P35869 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ GFER P55789 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ TSHR P16473 1/20 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
SCHEMBL11174102 0.73 AHR (0.55) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6545653 0.69 HPGD (0.61) MAPTMEN1KMT2AGAANPSR1
SCHEMBL19385386 0.69 MAPT (0.50) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL7905132 0.69 MAPT (0.77) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL7905135 0.69 MAPT (0.77) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL12900330 0.68 MAPT (0.55) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL19860975 0.68 TSHR (0.46) MAPTMEN1KMT2ASMN1; SMN2AHR
SCHEMBL21420157 0.67 MAPT (0.77) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL5781155 0.66 AHR (0.61) MAPTMEN1KMT2AGAANPSR1
SCHEMBL25847142 0.66 ATM (0.38) MAPTMEN1KMT2AHPGDALDH1A1

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-20210091315-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-03-25 — — US disclosed
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