SCHEMBL6205516

SCHEMBL6205516

O=C(O)Oc1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
DHFR P00374 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
ALB P02768 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
CXCL12 P48061 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
ACMSD Q8TDX5 1/20 0.53
HSD17B10 Q99714 1/20 0.53
APP P05067 6/20 0.47
CYP2C19 P33261 4/20 0.47

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
SCHEMBL9069984 0.89 MAOB (0.48) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL6224544 0.84 APP (0.45) APPCYP2C19KMO
SCHEMBL9227701 0.81 HIF1A (0.47) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL6224211 0.81 APP (0.45) MEN1KMT2AAPPCYP2C19CYP3A4
SCHEMBL6207370 0.80 BCL2L1 (0.54) MEN1LMNAKMT2AHSD17B10
SCHEMBL11101459 0.80 ESR1 (0.51) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL6205277 0.79 MAPT (0.44) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL12152596 0.79 BACE1 (0.47) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL10600475 0.78 TTR (0.62) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9229790 0.78 KMT2A (0.42) TTRKDM4EMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed