SCHEMBL24726973

SCHEMBL24726973

C#C/C=C\C(=C/C)c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGD P15428 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ AHR P35869 1/20 0.41
▸ KIF11 P52732 3/20 0.40
▸ RORC P51449 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL24726999 0.73 KDM4E (0.45) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19831560 0.72 MAOB (0.33) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL24727169 0.71 KIF11 (0.36) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL26052202 0.70 KDM4E (0.45) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL24727515 0.69 KIF11 (0.47) ALDH1A1HSD17B10AHRKIF11GPR3
SCHEMBL16801338 0.69 KDM4E (0.46) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31244397 0.68 KIF11 (0.69) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL8124642 0.68 KDM4E (0.55) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL2028709 0.68 KIF11 (0.69) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL18924097 0.67 KDM4E (0.47) KDM4EALDH1A1KMT2AMAPTMEN1

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-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 — — EP disclosed
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