SCHEMBL8882717

SCHEMBL8882717

CC1CNCCN1c1cc2c(cc1F)c(=S)ccn2C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.41
▸ TOP2B Q02880 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LATS1 O95835 1/20 0.35
▸ HTR2C P28335 5/20 0.34
▸ HTR2B P41595 5/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ BRPF1 P55201 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD1 O95696 1/20 0.33
▸ BRPF3 Q9ULD4 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL5566403 0.87 KDM4E (0.43) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8881243 0.86 LATS1 (0.37) KDM4EALDH1A1LMNALATS1HTR2C
SCHEMBL8881374 0.83 LMNA (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8881120 0.82 ALDH1A1 (0.55) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8881299 0.80 LATS1 (0.33) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8882227 0.78 KDM4E (0.57) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8881905 0.77 TOP2A (0.39) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8882301 0.75 TOP2A (0.37) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8882157 0.75 TOP2A (0.49) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL9355301 0.72 LMNA (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663331-A BACTERICIDES IL-DONG PHARM. CO., LTD. (KR) 1997-09-02 — — US disclosed
EP-0623136-A1 NOVEL CEPHALOSPORIN COMPOUNDS IL-DONG PHARM. CO., LTD. (KR) 1994-11-09 — — EP disclosed
WO-1993015084-A1 NOVEL CEPHALOSPORIN COMPOUNDS IL-DONG PHARM. CO., LTD. (KR) 1993-08-05 — — WO disclosed
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