SCHEMBL8616486

SCHEMBL8616486

CC(C)C(C)Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC(=N)N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.47
DHODH Q02127 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR2 P21452 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8615123 0.90 DHODH (0.59) TACR3DHODHKDM4EMEN1POLB
SCHEMBL8616636 0.86 KDM4E (0.52) TACR3RXFP1KDM4EMEN1POLB
SCHEMBL8619034 0.85 DHODH (0.57) TACR3DHODHKDM4EMEN1POLB
SCHEMBL8614044 0.83 TACR3 (0.46) TACR3KDM4ETACR2ALDH1A1CA12
SCHEMBL8615299 0.82 TACR3 (0.49) TACR3DHODHKDM4EMEN1POLB
SCHEMBL8614053 0.82 TP53 (0.55) TACR3DHODHRXFP1KDM4EMEN1
SCHEMBL8619212 0.82 DHODH (0.53) TACR3DHODHRXFP1KDM4EMEN1
SCHEMBL8617740 0.81 TACR3 (0.51) TACR3DHODHKDM4EMEN1POLB
SCHEMBL8613846 0.81 KDM4E (0.67) RXFP1KDM4EMEN1POLBKMT2A
SCHEMBL8615678 0.80 ESR1 (0.54) TACR3DHODHRXFP1KDM4EMEN1

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