SCHEMBL8617890

SCHEMBL8617890

COc1cc2nc(-c3ccccc3C)cc(NC(=N)NC=O)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
DNMT1 P26358 3/20 0.44
EHMT2 Q96KQ7 1/20 0.44
TACR3 P29371 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ACP1 P24666 1/20 0.36
CSF1R P07333 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDR P35968 2/20 0.36
PDGFRA P16234 1/20 0.36
CTSG P08311 1/20 0.35
KLK7 P49862 1/20 0.35

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
SCHEMBL8616673 0.87 CA2 (0.50) MEN1KMT2ATACR3CA12CA1
SCHEMBL8619346 0.87 TACR3 (0.46) TACR3CA12CA1CA2CA9
SCHEMBL8615234 0.86 HTT (0.38) MEN1KMT2ADNMT1EHMT2TACR3
SCHEMBL8620866 0.86 ALDH1A1 (0.46) MEN1KMT2ADNMT1EHMT2TACR3
SCHEMBL8613210 0.85 KDM4E (0.38) MEN1KMT2ADNMT1EHMT2TACR3
SCHEMBL8617853 0.85 KDM4E (0.38) MEN1KMT2ADNMT1EHMT2ACP1
SCHEMBL8620892 0.85 HTT (0.47) MEN1KMT2ATACR3ACP1HTT
SCHEMBL8619913 0.85 TGFBR1 (0.39) MEN1KMT2ATACR3CA12CA1
SCHEMBL8613400 0.85 GFER (0.41) MEN1KMT2AACP1HTTPOLB
SCHEMBL8618911 0.84 C5AR1 (0.34) MEN1KMT2ADNMT1EHMT2TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed