SCHEMBL31147849

SCHEMBL31147849

O=C(C(=O)C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Zn]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.36
ATM Q13315 1/20 0.35
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
EDNRA P25101 1/20 0.31
CYP2C9 P11712 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 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
SCHEMBL31068436 0.98 HTR6 (0.41) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL6535272 0.86 HTR6 (0.40) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL9309445 0.85 HTR2A (0.38) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL29401941 0.83 EDNRA (0.39) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL63928 0.83 EDNRA (0.39) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL3609519 0.83 HTR2A (0.36) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL629577 0.82 POLB (0.36) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL8378960 0.82 POLB (0.37) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL3246033 0.82 HTR2A (0.35) HTR6CYP2D6HTR2AATMBRD4
SCHEMBL8559334 0.82 HTR2A (0.35) HTR6CYP2D6HTR2AATMBRD4

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-118745340-A Reagent and method for quickly showing fingerprint trace 公安部鉴定中心 2024-10-08 CN disclosed