SCHEMBL23552870

SCHEMBL23552870

CCCC1(CCC)c2cc(/C(=N\OC(C)=O)c3ccccc3C)ccc2-c2c1cc(C(=O)c1cccs1)c1ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.37
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MAPT P10636 9/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ THRB P10828 2/20 0.31

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
SCHEMBL18122991 0.90 PDK2 (0.42) PKMCTNNB1WNT3ASMN1; SMN2ALDH1A1
SCHEMBL23552638 0.86 CDC25B (0.37) ALDH1A1TSHRMAPTRAB9ACYP1A2
SCHEMBL23552879 0.86 MEN1 (0.30) SMN1; SMN2KMT2AHPGD
SCHEMBL23552858 0.84 — —
SCHEMBL23552648 0.83 NPC1 (0.32) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL18123002 0.81 PDK2 (0.41) PKMCTNNB1WNT3ASMN1; SMN2ALDH1A1
SCHEMBL20356856 0.79 NPC1 (0.34) PKMRAB9ANPC1
SCHEMBL18123004 0.79 CNR2 (0.41) ALDH1A1TSHRMAPTRAB9ACYP1A2
SCHEMBL23552876 0.78 KMT2A (0.33) SMN1; SMN2RAB9ANPC1KMT2APOLB
SCHEMBL18933437 0.78 NPC1 (0.34) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1

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-20210191264-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, AND ORGANIC EL DISPLAY AND MANUFACTURING METHOD THEREFOR TORAY INDUSTRIES, INC. (JP) 2021-06-24 — — US disclosed
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