SCHEMBL7434786

SCHEMBL7434786

Cn1c(=O)[nH]c2nc(C(F)(F)F)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
BRAF P15056 2/20 0.46
GPR18 Q14330 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.44
CXCL8 P10145 2/20 0.44
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
RAB9A P51151 2/20 0.44
TNF P01375 1/20 0.44
G6PD P11413 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL556003 0.83 KDM4E (0.55) HPGDKDM4EBRAFGPR18LMNA
SCHEMBL9176299 0.83 KDM4E (0.65) HPGDKDM4EBRAFGPR18LMNA
SCHEMBL7430972 0.81 KDM4E (0.53) HPGDKDM4EBRAFGPR18LMNA
SCHEMBL7441558 0.81 KDM4E (0.56) HPGDKDM4EBRAFGPR18LMNA
SCHEMBL7761648 0.78 ADORA3 (0.53) KDM4ESMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7447211 0.77 HPGD (0.44) HPGDKDM4ELMNASMN1; SMN2KMT2A
SCHEMBL28749924 0.76 TSHR (0.50) HPGDKDM4EGPR18LMNASMN1; SMN2
SCHEMBL16028369 0.73 GPR18 (0.55) HPGDKDM4EBRAFGPR18SMN1; SMN2
SCHEMBL9536468 0.72 HPGD (0.47) HPGDKDM4EBRAFKMT2AMAPT
SCHEMBL7441501 0.72 PCSK9 (0.42) HPGDBRAFLMNASMN1; SMN2KMT2A

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
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed