SCHEMBL28975448

SCHEMBL28975448

CCCCCCCCCCCCCCCCN1c2ccccc2C(C)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
CNR1 P21554 1/20 0.42
CDC25A P30304 2/20 0.41
CES1 P23141 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL28975449 0.85 GPR3 (0.33)
SCHEMBL28983390 0.83 GPR3 (0.33) KDM4ELMNAMEN1KMT2A
SCHEMBL8951892 0.83 CNR1 (0.35) CNR2CNR1KDM4ELMNAALDH1A1
SCHEMBL29221350 0.80 MEN1 (0.41) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL11420280 0.78 CRHBP (0.42) CNR2CNR1CDC25ACES1KDM4E
SCHEMBL10886763 0.77 CRHBP (0.43) CNR2CNR1CDC25ACES1KDM4E
SCHEMBL29221335 0.73 AMPD2 (0.42) LMNAALDH1A1MEN1KMT2A
SCHEMBL6321054 0.73 GPR3 (0.42) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL29260060 0.72 PRCP (0.41) LMNAALDH1A1
SCHEMBL9636461 0.72 CRHBP (0.43) LMNAALDH1A1CYP2D6CYP2C19MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940521-B Photostable fluorescent dye and synthesis method and application thereof 中国科学院大连化学物理研究所 2023-04-14 CN disclosed
CN-112940520-B Application of fluorescent dye with organelle positioning property in imaging of organelles 中国科学院大连化学物理研究所 2023-03-31 CN disclosed