SCHEMBL6903129

SCHEMBL6903129

O=C(O)c1c(C2CC2)[nH]c2cc(N3CCNCC3)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
DNASE1 P24855 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ABL1 P00519 1/20 0.36
HTR6 P50406 2/20 0.35
JAK2 O60674 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ADRB1 P08588 3/20 0.35

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
SCHEMBL7557799 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRKDM4EPIM1
SCHEMBL9443458 0.75 HPGD (0.52) ALDH1A1HSD17B10USP2KDM4EPIM1
SCHEMBL10514956 0.74 HTR2C (0.48) ALDH1A1HSD17B10KDM4EJAK2LMNA
SCHEMBL6341275 0.71 HCAR2 (0.35) ALDH1A1HSD17B10KDM4EPIM1PIM3
SCHEMBL30504558 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2TSHRKDM4E
SCHEMBL3475236 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2TSHRKDM4E
SCHEMBL28281274 0.70 PIM1 (0.44) ERCC1DNASE1FEN1ERCC4ALDH1A1
SCHEMBL27541984 0.70 HPGD (0.47) ALDH1A1HSD17B10USP2KDM4EHPGD
SCHEMBL6898646 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRKDM4EPIM1
SCHEMBL10698893 0.69 KDM4E (0.47) ALDH1A1HSD17B10USP2TSHRKDM4E

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
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 WO disclosed