SCHEMBL8613181

SCHEMBL8613181

CC(C)c1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HTT P42858 2/20 0.36
PDE10A Q9Y233 2/20 0.35
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
TSHR P16473 1/20 0.34
CACNA2D1 P54289 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34

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
SCHEMBL8615851 0.92 ACP1 (0.36) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8615156 0.90 ACP1 (0.37) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8619253 0.89 ACP1 (0.37) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8617284 0.88 PDE10A (0.38) ACP1MEN1KMT2APDE10ATSHR
SCHEMBL8620892 0.85 HTT (0.47) ACP1MEN1KMT2AHTTGALR3
SCHEMBL8618733 0.84 LMNA (0.45) ACP1MEN1KMT2AHTTPDE10A
SCHEMBL8616012 0.84 PDE10A (0.40) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8616415 0.84 ACP1 (0.42) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8613901 0.84 ACP1 (0.51) ACP1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL8616287 0.83 PDE10A (0.49) ACP1MEN1KMT2AABCB1ABCC1

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