SCHEMBL21282102

SCHEMBL21282102

C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3cc[n+](C)cc3)C(=O)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.46
KCNN4 O15554 1/20 0.38
KCNA3 P22001 1/20 0.38
P2RX4 Q99571 3/20 0.37
TTR P02766 1/20 0.37
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
CTRB1 P17538 1/20 0.36
APOBEC3A P31941 2/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25712152 0.93 KCNN4 (0.48) CES1KCNN4KCNA3P2RX4BCHE
SCHEMBL21282089 0.92 CES1 (0.40) CES1KCNN4KCNA3APOBEC3AAPOBEC3G
SCHEMBL24141315 0.87 CES1 (0.36) CES1KCNN4KCNA3
SCHEMBL21282113 0.85 CES1 (0.37) CES1KCNN4KCNA3P2RX4CTRB1
SCHEMBL21282106 0.85 ALDH1A1 (0.41) CES1KCNN4KCNA3ACHEALDH1A1
SCHEMBL21282118 0.85 CES1 (0.37) CES1KCNN4KCNA3ALDH1A1MAPT
SCHEMBL21282114 0.85 CES1 (0.47) CES1KCNN4KCNA3P2RX4TTR
SCHEMBL13422643 0.85 NNMT (0.45) CES1KCNN4KCNA3P2RX4TTR
SCHEMBL21282131 0.84 P2RX4 (0.51) CES1P2RX4BCHEACHECTRB1
SCHEMBL21282090 0.82 CES1 (0.33) CES1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-20210403718-A1 Modified Indigo Compounds and Methods of Dyeing a Substrate Using a Modified Indigo Compound THE H.D. LEE COMPANY, INC. (US) 2021-12-30 US disclosed
US-11208559-B2 Modified indigo compounds and methods of dyeing a substrate using a modified indigo compound THE H.D. LEE COMPANY, INC. (US) 2021-12-28 US disclosed
US-20210189643-A1 FOAM DYEING METHODS USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2021-06-24 US disclosed
US-20190256710-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-08-22 US disclosed