SCHEMBL8882227

SCHEMBL8882227

CC1CNCCN1c1cc2c(cc1F)c(=S)c(C(=O)O)cn2C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ HPGD P15428 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ TOP2A P11388 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TOP2B Q02880 1/20 0.57
▸ MAPT P10636 1/20 0.48
▸ KCNH2 Q12809 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PIK3CG P48736 5/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3R1 P27986 3/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL8883025 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8882717 0.78 TOP2A (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22579210 0.78 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10LMNA
Iodide SCHEMBL9805908 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5566403 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9678335 0.75 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4629781 0.74 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL48002 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10808425 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10886382 0.74 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA

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 7 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
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 — — US disclosed
EP-0293071-B1 REDOX AMINO ACIDS AND PEPTIDES CONTAINING THEM UNIVERSITY OF FLORIDA (US) 1993-09-01 — — EP disclosed
WO-1993015084-A1 NOVEL CEPHALOSPORIN COMPOUNDS IL-DONG PHARM. CO., LTD. (KR) 1993-08-05 — — WO disclosed
US-5079366-A To derivatize pharmaceutical peptides for transport across the blood/brain barrier UNIVERSITY OF FLORIDA (US) 1992-01-07 — — US disclosed
US-4888427-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX SYSTEM UNIVERSITY OF FLORIDA (US) 1989-12-19 — — US disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 — — EP disclosed
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