SCHEMBL9615835

SCHEMBL9615835

C=CC(c1ccccc1)[N+](C)(C)C.[O-][Cl+][O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPT P10636 4/20 0.31
CYP3A4 P08684 3/20 0.31
ALOX15 P16050 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN3A Q9NY46 2/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 3/20 0.30
USP2 O75604 2/20 0.30
TP53 P04637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALOX12 P18054 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL210755 0.92 CYP1A2 (0.37) CYP1A2LMNAKDM4EMAPTCYP3A4
Fluoride Ion SCHEMBL6316234 0.90 CYP1A2 (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Hydrochloric Acid SCHEMBL22686139 0.90 CYP1A2 (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Hydrochloric Acid SCHEMBL58307 0.90 CYP1A2 (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Bromide SCHEMBL3466725 0.90 CYP1A2 (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Iodide SCHEMBL31397630 0.90 SCN1A (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Water SCHEMBL3751250 0.90 CYP1A2 (0.36) CYP1A2LMNAKDM4EMAPTCYP3A4
Hydrochloric Acid SCHEMBL9501111 0.88 CYP1A2 (0.35) CYP1A2LMNAKDM4EMAPTCYP3A4
Bicarbonate SCHEMBL9180912 0.85 ALPL (0.42) CYP1A2LMNACYP2C19HPGDKMT2A
Sulfuric Acid SCHEMBL10945799 0.85 CYP1A2 (0.35) CYP1A2LMNAKDM4EMAPTCYP3A4

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
JP-4168443-A None JP disclosed
JP-H04168443-A ELECTROSTATIC RECORDING BODY KANZAKI PAPER MFG CO LTD 1992-06-16 JP disclosed