SCHEMBL3466950

SCHEMBL3466950

C=CCC(CC=C)C(N)c1ccccc1.COS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
DPP4 P27487 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
SPPL2A Q8TCT8 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
Sulfuric Acid SCHEMBL28531626 0.90 CYP2C19 (0.49) CYP2C19DPP4SMN1; SMN2KDM4EMAPT
SCHEMBL14890157 0.88 CYP2C19 (0.40) CYP2C19DPP4SMN1; SMN2SRCPSEN1
SCHEMBL1678152 0.83 DPP4 (0.52) CYP2C19DPP4SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL327082 0.81 DPP4 (0.50) CYP2C19DPP4SMN1; SMN2KDM4EMAPT
Iodide SCHEMBL3466445 0.81 DPP4 (0.50) CYP2C19DPP4SMN1; SMN2KDM4EMAPT
Bromide SCHEMBL3466618 0.81 DPP4 (0.50) CYP2C19DPP4SMN1; SMN2KDM4EMAPT
SCHEMBL27433662 0.75 CYP2C19 (0.47) CYP2C19SMN1; SMN2MAPTLMNACYP3A4
SCHEMBL3467552 0.75 MAPT (0.40) CYP2C19KDM4EMAPTHPGDUSP2
SCHEMBL19307324 0.75 MEN1 (0.31) KMT2A
SCHEMBL6135444 0.72 MAPT (0.40) CYP2C19KDM4EMAPTHPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354666-B1 USE OF AN POLYACRYLAMIDE RESIN AS PAPERMAKING ADDITIVE AND PAPER HARIMA CHEMICALS INC (JP) 2021-03-10 EP disclosed
US-20200332131-A1 FLAME RETARDANT AID, FLAME RETARDING AGENT COMPOSITION, AND METHOD FOR PRODUCING FLAME-RETARDANT FIBER FABRIC NICCA CHEMICAL CO., LTD. (JP) 2020-10-22 US disclosed
EP-3354666-A1 POLYACRYLAMIDE RESIN, PAPERMAKING ADDITIVE AND PAPER Harima Chemicals, Inc. (JP) 2018-08-01 EP disclosed
US-9908959-B2 Polyacrylamide resin, papermaking additive, and paper HARIMA CHEMICALS, INCORPORATED (JP) 2018-03-06 US disclosed
US-20170253683-A1 POLYACRYLAMIDE RESIN, PAPERMAKING ADDITIVE, AND PAPER HARIMA CHEMICALS, INCORPORATED (JP) 2017-09-07 US disclosed
US-20150211130-A1 ANTI-CORROSIVE AGENT FOR WASHING OF METAL WITH ACID, DETERGENT SOLUTION COMPOSITION, AND METHOD FOR WASHING OF METAL NITTO BOSEKI CO LTD (JP) 2015-07-30 US disclosed
US-20130109607-A1 ANTI-CORROSIVE AGENT FOR WASHING OF METAL WITH ACID, DETERGENT SOLUTION COMPOSITION, AND METHOD FOR WASHING OF METAL NITTO BOSEKI CO., LTD. (JP) 2013-05-02 US disclosed
EP-2199265-B1 GLASS FIBER SIZING AGENT CONTAINING AMPHOTERIC POLYMER COMPOUND NITTO BOSEKI CO LTD (JP) 2012-11-07 EP disclosed
US-20100215940-A1 Glass Fiber Sizing Agent Containing Amphoteric Polymer Compound NITTO BOSEKI CO., LTD. (JP) 2010-08-26 US disclosed
EP-2199265-A1 GLASS FIBER SIZING AGENT CONTAINING AMPHOTERIC POLYMER COMPOUND Nitto Boseki CO., LTD. (JP) 2010-06-23 EP disclosed