SCHEMBL6601216

SCHEMBL6601216

Cc1ncn(Cc2ccc3c(c2)OCO3)c1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL14151420 0.73 DGAT1 (0.33) —
SCHEMBL6601218 0.72 PDE5A (0.40) PDE5AKDM4EMEN1KMT2ACASP1
SCHEMBL6598800 0.71 PDE5A (0.40) PDE5AKDM4EMEN1KMT2ACASP1
SCHEMBL6601983 0.68 KDM4E (0.45) KDM4EMEN1KMT2ACASP1HSD17B10
SCHEMBL6598916 0.68 TSHR (0.51) PDE5AKDM4EMEN1KMT2ACASP1
SCHEMBL8665363 0.67 HTT (0.59) PDE5AKDM4EHSD17B10TSHRALDH1A1
Hydrochloric Acid SCHEMBL6600653 0.67 PDE5A (0.50) PDE5AKDM4EMEN1KMT2ACASP1
SCHEMBL15579290 0.65 KCNH2 (0.61) PDE5AKDM4EMEN1KMT2ACASP1
SCHEMBL8668858 0.62 QPCT (0.58) PDE5AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6599126 0.62 PDE5A (0.52) PDE5AKDM4EMEN1KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 — — EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 — — US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 — — EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 — — EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 — — WO disclosed
Send feedback