SCHEMBL9203598

SCHEMBL9203598

O=C1CC(SC(=O)c2ccccc2)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC5A1 P13866 1/20 0.33
IDO1 P14902 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL8932417 0.79 CHRNB2 (0.35) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL27838683 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8932390 0.77 ALDH1A1 (0.33) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9384993 0.75 ALDH1A1 (0.40) ACEDDB1CRBNALDH1A1NFKB1
SCHEMBL10954717 0.75 ALDH1A1 (0.40) ACEDDB1CRBNALDH1A1NFKB1
SCHEMBL10954720 0.75 ALDH1A1 (0.40) ACEDDB1CRBNALDH1A1NFKB1
SCHEMBL8932630 0.73 CHRNB2 (0.32) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3741280 0.73 CRBN (0.44) MTNR1ADDB1CRBNALDH1A1
SCHEMBL6397894 0.72 KMT2A (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8759876 0.72 KMT2A (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210883-B1 Derivatives of penem DAIICHI SEIYAKU CO (JP) 1995-02-01 EP disclosed
US-5079357-A Bactericides DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-4962202-A PENICILLIN INTERMEDIATES DAIICHI SEIYAKU CO., LTD. (JP) 1990-10-09 US disclosed
EP-0210883-A2 Derivatives of penem DAIICHI SEIYAKU CO., LTD. (JP) 1987-02-04 EP disclosed