SCHEMBL8617128

SCHEMBL8617128

Cc1ccccc1-c1cc(NC(=N)NC=O)c2ccc(OCOC3CCCC3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.35
DNMT1 P26358 2/20 0.35
EHMT2 Q96KQ7 2/20 0.35
TACR3 P29371 3/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K1 Q92918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8613990 0.87 TACR3 (0.39) ACP1DNMT1EHMT2TACR3MEN1
SCHEMBL8615511 0.86 TACR3 (0.35) ACP1DNMT1EHMT2TACR3MEN1
SCHEMBL8613388 0.85 SMN1; SMN2 (0.39) TACR3MEN1KMT2ACA12CA1
SCHEMBL8615853 0.83 TACR3 (0.37) TACR3MEN1KMT2ACA12CA1
SCHEMBL8615573 0.83 TACR3 (0.37) ACP1DNMT1EHMT2TACR3MEN1
SCHEMBL8619346 0.83 TACR3 (0.46) TACR3CA12CA1CA2CA9
SCHEMBL8617721 0.82 CA2 (0.38) ACP1DNMT1EHMT2TACR3MEN1
SCHEMBL8617199 0.81 ACP1 (0.43) ACP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8615222 0.81 TACR3 (0.35) TACR3MEN1KMT2ACA12CA1
SCHEMBL8617680 0.81 TACR3 (0.35) DNMT1EHMT2TACR3MEN1KMT2A

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