SCHEMBL7963870

SCHEMBL7963870

O=S(=O)(O)NCc1ncc2sccn12

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 2/20 0.30
MAPT P10636 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
SCHEMBL7968349 0.65 TP53 (0.34) ALDH1A1
SCHEMBL7964673 0.65
SCHEMBL7632455 0.62 DYRK1A (0.39) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL8053102 0.61 HSD17B10 (0.46) ALDH1A1HPGDTSHRPKMHSD17B10
SCHEMBL8041231 0.57 LMNA (0.33) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL5632849 0.57 MEN1 (0.55) ALDH1A1HPGD
SCHEMBL8054632 0.57 KDM4E (0.35) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL7964619 0.57
SCHEMBL5630873 0.53 L3MBTL1 (0.65) ALDH1A1TSHR
SCHEMBL5656919 0.53 SMN1; SMN2 (0.58) ALDH1A1

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
US-6242437-B1 HAS HIGHER ANTIMICROBIAL ACTIVITY AGAINST METHICILLINE-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PENICILLIN-RESISTANT STREPTOCOCCUS PNEUMONIAE (PRSP), AND IMIPENEM-RESISTANT PSEUDOMONAS AERUGINOSA ONIUM SALT MEIJI SEIKA KAISHA, LTD. (JP) 2001-06-05 US disclosed
EP-0947517-A1 CEPHEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1999-10-06 EP disclosed