SCHEMBL7455572

SCHEMBL7455572

O=C(CF)c1cccnc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.63
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 3/20 0.39
DHODH Q02127 1/20 0.38
SLC18A3 Q16572 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
SCHEMBL3962348 0.83 NAPRT (0.61) NAPRTCTNNB1WNT3AKDM4ETDP1
SCHEMBL3432130 0.83 NAPRT (0.61) NAPRTCTNNB1WNT3AKDM4ETDP1
SCHEMBL2409306 0.83 NAPRT (0.61) NAPRTCTNNB1WNT3AKDM4ETDP1
Bromide SCHEMBL4126411 0.81 NAPRT (0.59) NAPRTCTNNB1WNT3AKDM4ETDP1
SCHEMBL27612856 0.79 NAPRT (0.73) NAPRTCTNNB1WNT3AKDM4ETDP1
SCHEMBL7371695 0.79 NAPRT (0.61) NAPRTCTNNB1WNT3AKDM4ETDP1
SCHEMBL229352 0.78 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL29574424 0.78 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL19280924 0.78 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL28705950 0.78 NAPRT (0.70) NAPRTCTNNB1WNT3AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
EP-0639190-B1 PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2002-01-09 EP disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed
US-5461026-A Pyridine sulfonyl urea derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-10-24 US disclosed
EP-0639190-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-02-22 EP disclosed
WO-1992014728-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-03 WO disclosed