SCHEMBL24066716

SCHEMBL24066716

BNC(C)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MAOA P21397 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOB P27338 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
PTGS1 P23219 1/20 0.38
MAPK1 P28482 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
SCHEMBL10763403 0.79 SLC6A4 (0.44) MTNR1AMTNR1BMAOAADRA2CKDM4E
SCHEMBL10763892 0.77 MTNR1A (0.42) MTNR1AMTNR1BMAOAADRA2AADRA2B
SCHEMBL6309709 0.77 MTNR1A (0.46) MTNR1AMTNR1BMAOAKDM4ESLC6A4
SCHEMBL1488230 0.77 MTNR1A (0.42) MTNR1AMTNR1BMAOAADRA2AADRA2B
SCHEMBL11402564 0.77 MAOA (0.52) MTNR1AMTNR1BMAOAADRA2AADRA2B
SCHEMBL8813184 0.76 TDP1 (0.54) MTNR1AMTNR1BKDM4ELMNAGAA
SCHEMBL19544761 0.76 SLC6A4 (0.42) MTNR1AMTNR1BMAOAADRA2AADRA2B
Ethane SCHEMBL11445847 0.76 MAOA (0.50) MTNR1AMTNR1BMAOAADRA2AADRA2B
SCHEMBL27941499 0.74 MTNR1A (0.47) MTNR1AMTNR1BMAOAADRA2AKDM4E
SCHEMBL6679557 0.72 MTNR1A (0.42) MTNR1AMTNR1BKDM4ESLC6A4LMNA

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
US-11668716-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2023-06-06 US disclosed
US-20210373029-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2021-12-02 US disclosed