SCHEMBL24728494

SCHEMBL24728494

In1c2ccc(-c3ccccc3)cc2c2ccc3sc4ccccc4c3c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ F9 P00740 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25678961 0.95 LIMK1 (0.36) LIMK1PIM3TSPOF9ROCK1
SCHEMBL25678907 0.85 MAOB (0.40) LIMK1PIM3GPR3TSPOF9
SCHEMBL15126538 0.84 L3MBTL1 (0.35) LIMK1PIM3GPR3TSPOF9
SCHEMBL18777274 0.84 NR3C1 (0.34) LIMK1PIM3GPR3TSPOF9
SCHEMBL18435666 0.83 GPR3 (0.41) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL17196509 0.83 LIMK1 (0.38) LIMK1PIM3GPR3TSPOF9
SCHEMBL25678854 0.83 MAPT (0.35) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL24728628 0.82 LIMK1 (0.41) LIMK1PIM3TSPOF9ROCK1
SCHEMBL17759476 0.81 NR3C1 (0.33) LIMK1PIM3GPR3TSPOF9
SCHEMBL24676218 0.81 KDM4E (0.39) LIMK1PIM3TSPONR3C1

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-4102588-A1 HOST MATERIAL, COMPOSITION, AND ORGANIC ELECTROLUMINESCENT ELEMENT Kyulux, Inc. (JP) 2022-12-14 — — EP disclosed
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