SCHEMBL28840360

SCHEMBL28840360

CSc1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
CALM1 P0DP23 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL28887710 0.84 SLC6A2 (0.45) L3MBTL1MAPTRECQLSLC6A2SLC6A4
SCHEMBL22742257 0.84 AGXT (0.42) L3MBTL1MAPTRECQLCHRM2BCL2
SCHEMBL946829 0.82 APOBEC3G (0.54) CALM1HTR2ABCL2BCL2L1KMT2A
SCHEMBL352618 0.82 CALM1 (0.50) L3MBTL1CALM1SLC6A2SLC6A4SLC6A3
SCHEMBL24612455 0.79 HTR2A (0.42) L3MBTL1CALM1HTR2ABCL2BCL2L1
SCHEMBL8080553 0.78 CALM1 (0.46) L3MBTL1CALM1HTR2ABCL2BCL2L1
SCHEMBL2212249 0.77 ALOX5 (0.56) SLC6A2SLC6A4SLC6A3BCL2BCL2L1
SCHEMBL12174818 0.77 HTR2A (0.42) MAPTCALM1HTR2ABCL2BCL2L1
SCHEMBL1866871 0.77 CHRNA7 (0.51) L3MBTL1CALM1SLC6A2SLC6A4SLC6A3
SCHEMBL2887503 0.77 CALM1 (0.44) L3MBTL1MAPTRECQLCALM1HTR2A

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-115044566-A Cyclohexanone monooxygenase mutant and application thereof 江南大学 2022-09-13 CN disclosed