SCHEMBL8881905

SCHEMBL8881905

CN1CCNCC1c1cc2c(cc1F)c(=S)ccn2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.39
▸ TOP2B Q02880 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL8882384 0.86 KDM4E (0.35) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL8882301 0.86 TOP2A (0.37) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8884022 0.83 KDM4E (0.33) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8883002 0.79 — —
SCHEMBL8882717 0.77 TOP2A (0.41) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8881120 0.76 ALDH1A1 (0.55) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8882157 0.75 TOP2A (0.49) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL8881681 0.74 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL8882084 0.72 LMNA (0.35) KDM4EALDH1A1LMNACYP2C9HPGD
SCHEMBL25052839 0.68 HTR2C (0.49) HTR2AHTR2CHTR2B

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
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
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 — — WO disclosed
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