SCHEMBL30920029

SCHEMBL30920029

CC1(C)c2ccccc2N(c2ccc(Nc3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.43
▸ PGR P06401 6/20 0.42
▸ KMT2A Q03164 5/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GNG2 P59768 1/20 0.38
▸ GNB1 P62873 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13231537 0.89 KMT2A (0.44) PGRKMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL25177389 0.87 PGR (0.43) HSP90AA1PGRKMT2AGNG2GNB1
SCHEMBL29945219 0.86 PGR (0.53) HSP90AA1PGRKMT2AGNG2GNB1
SCHEMBL24027645 0.86 PGR (0.47) HSP90AA1PGRKMT2ACYP1A2CYP2D6
SCHEMBL20219093 0.85 PGR (0.34) HSP90AA1PGRKMT2ACYP1A2CYP2D6
SCHEMBL13231563 0.83 KMT2A (0.41) PGRKMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL22861629 0.83 PGR (0.46) PGRKMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL31913 0.83 PGR (0.49) PGRKMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL29388768 0.83 PGR (0.49) PGRKMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL11978689 0.81 PGR (0.53) PGRKMT2ACYP1A2CYP2D6ALDH1A1

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
CN-113620973-B Thermal activation delay fluorescent material and preparation method and application thereof 西北工业大学 2024-05-07 — — CN disclosed
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