SCHEMBL11269259

SCHEMBL11269259

NCCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ALOX15 P16050 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1098265 0.93 KEAP1 (0.50) KEAP1SMN1; SMN2SIGMAR1ALOX15ACE2
SCHEMBL479863 0.84 ALOX15 (0.57) KEAP1SMN1; SMN2SIGMAR1ALOX15ACE2
Hydrochloric Acid SCHEMBL22119678 0.82 ALOX15 (0.55) KEAP1SMN1; SMN2SIGMAR1ALOX15ACE2
SCHEMBL5564599 0.78 HRH3 (0.36) HRH3MEN1KMT2A
SCHEMBL12550619 0.78 GNAO1 (0.48) SIGMAR1MEN1KMT2A
SCHEMBL2850740 0.78 PAOX (0.37) SMN1; SMN2HRH3MEN1KMT2A
SCHEMBL4666999 0.78
SCHEMBL1615517 0.78 ALOX15 (0.61) KEAP1SMN1; SMN2SIGMAR1ALOX15HRH3
SCHEMBL12551015 0.78 ACE2 (0.67) KEAP1SMN1; SMN2SIGMAR1ALOX15ACE2
SCHEMBL1097457 0.77 KMT2A (0.37) SMN1; SMN2HRH3MEN1KMT2A

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-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-4328223-A 2-Amino-3a,4,5,6-tetrahydro-perimidine derivatives and their medicinal use in combatting circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-4187306-A Benzodiazepine-diones, a process for their production and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-05 US disclosed