SCHEMBL9715453

SCHEMBL9715453

CCCCN1CSc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PDF Q9HBH1 1/20 0.38
DRD2 P14416 2/20 0.38
GFER P55789 1/20 0.38
MAOA P21397 1/20 0.37
BCHE P06276 2/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL29878442 1.00 KDM1A (0.48) KDM1ADRD3ALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL9694632 0.98 KDM1A (0.47) KDM1ADRD3ALDH1A1CYP1A2CYP2D6
SCHEMBL4304928 0.95 KDM1A (0.43) KDM1ADRD3ALDH1A1CYP1A2CYP2D6
SCHEMBL9064444 0.93 LMNA (0.43) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29306541 0.93 LMNA (0.43) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9722988 0.93 LMNA (0.43) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9037704 0.93 LMNA (0.43) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL9038446 0.92 LMNA (0.42) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL9694372 0.92 ALDH1A1 (0.45) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL9625797 0.92 ALDH1A1 (0.45) KDM1AALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031696-A Method by the formaldehyde synthetic glycerine BP CHEM INT LTD (GB) 1989-03-15 CN claimed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
CN-113710093-A Granular pesticide composition and method for spreading the same 组合化学工业株式会社 2021-11-26 CN disclosed
CN-103159653-A Method for producing methionine SUMITOMO CHEMICAL CO 2013-06-19 CN disclosed
CN-102153525-A Preparation method and application of novel benzothiazole salt ionic liquid UNIV SICHUAN 2011-08-17 CN disclosed
EP-0343893-B1 AROMATIC AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS ANTINEOPLASTIC AGENTS PFIZER INC. (US) 1992-08-05 EP disclosed
CN-1031696-A Method by the formaldehyde synthetic glycerine BP CHEM INT LTD (GB) 1989-03-15 CN disclosed