SCHEMBL6987504

SCHEMBL6987504

N=C(N)c1[c]cccc1O

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 2/20 0.33
BLM P54132 2/20 0.33
RECQL P46063 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL11516367 0.78 KDM4E (0.45) LMNABLMRECQLKMT2AKDM4E
SCHEMBL5907451 0.78 F2 (0.34) F2F10F12F7F3
SCHEMBL6633093 0.77 PRSS1 (0.36) F2F10F12F7F3
SCHEMBL7428707 0.72 GABRA1 (0.38) F2F10F12F7F3
SCHEMBL21053816 0.72 WDR5 (0.42) F2F10F12F7F3
SCHEMBL18301295 0.72 CA1 (0.43) LMNAPRSS1PRSS2PRSS3KDM4E
SCHEMBL1191220 0.71 CA2 (0.44) LMNABLMRECQLKMT2AKDM4E
SCHEMBL8948745 0.70 F2 (0.34) F2F10F12F7F3
SCHEMBL1028751 0.67
SCHEMBL1649597 0.67 F2 (0.38) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728758-B1 Dioxopyrrolo-pyrrole derivatives HOFFMANN LA ROCHE (CH) 2003-10-15 EP claimed
US-5686459-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-11-11 US claimed
EP-0728758-A1 Dioxopyrrolo-pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP claimed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US claimed
EP-0728758-B1 Dioxopyrrolo-pyrrole derivatives HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-5686459-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-11-11 US disclosed
EP-0728758-A1 Dioxopyrrolo-pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP disclosed