SCHEMBL31489175

SCHEMBL31489175

Cc1cccc(C(c2ccccc2)c2ccccc2)c1C.N=C=O.N=C=O.N=C=O.N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 5/20 0.34
ADRA2B P18089 5/20 0.34
ADRA2C P18825 4/20 0.34
ADRA1A P35348 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 4/20 0.34
ADRA1B P35368 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
ADRA1D P25100 2/20 0.34
KCNH2 Q12809 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 2/20 0.33

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
SCHEMBL11410676 0.89 ACP3 (0.43) ACP3L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL6229252 0.85 ACP3 (0.43) ACP3L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL6225155 0.82 ACP3 (0.44) ACP3L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL28204725 0.81 ACP3 (0.39) ACP3L3MBTL1ADRA2AADRA2BADRA1A
O-Xylene SCHEMBL27885473 0.81 TSHR (0.43) ACP3L3MBTL1CYP2D6TSHRKMT2A
SCHEMBL4331655 0.78 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL28500836 0.78 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ACYP3A4
Benzene SCHEMBL28983347 0.77 TRPA1 (0.44) CYP3A4CYP2C9CYP1A2TSHRKMT2A
Diphenylmethane SCHEMBL10901684 0.76 ADRA2A (0.38) L3MBTL1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6235141 0.75 ESR1 (0.46) ACP3ADRA2AADRA2BADRA1ACYP3A4

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-119797857-A Environment-friendly lightweight aggregate ecological concrete and preparation method thereof 湖南砼创物联科技有限公司 2025-04-11 CN disclosed