SCHEMBL8948745

SCHEMBL8948745

N=C(N)c1ccc[c]c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10915695 0.78 KDM4E (0.50) BLMRECQLKMT2AKDM4EALDH1A1
SCHEMBL5907451 0.78 F2 (0.34) F2F10F12F7F3
SCHEMBL1948316 0.77 F2 (0.33) F2F10F12F7F3
SCHEMBL1947715 0.77 BLM (0.37) F2F10F12F7F3
SCHEMBL1947510 0.77 LMNA (0.34) F2F10F12F7F3
SCHEMBL3844824 0.71 ALDH1A1 (0.50) BLMKDM4EALDH1A1MAPTHPGD
SCHEMBL10495281 0.70 F2 (0.55) F2F10F12F7F3
SCHEMBL7392661 0.70 F7 (0.32) F2F10F12F7F3
SCHEMBL6987504 0.70 F2 (0.34) F2F10F12F7F3
SCHEMBL7394318 0.69 F7 (0.35) F2F10F12F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US claimed