SCHEMBL8617796

SCHEMBL8617796

N=C(NC=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.51
IGF1R P08069 2/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 2/20 0.43
ABCC1 P33527 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
XDH P47989 1/20 0.41
SYK P43405 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL8617119 0.90 ABCB1 (0.45) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8616674 0.90 ACP1 (0.54) ACP1IGF1RTRPV1
SCHEMBL8614857 0.87 ABCB1 (0.55) ACP1ABCG2ABCB1MEN1KMT2A
SCHEMBL8614080 0.87 ABCB1 (0.42) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8617840 0.85 LMNA (0.42) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8617537 0.85 ACP1 (0.54) ACP1ABCG2ABCB1ABCC1TRPV1
SCHEMBL8614315 0.84 KMT2A (0.49) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8617753 0.84 ACP1 (0.51) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8614778 0.83 ACP1 (0.43) ACP1ABCG2ABCB1ABCC1MEN1
SCHEMBL8615255 0.83 ABCG2 (0.53) ACP1ABCG2ABCB1ABCC1ADORA2A

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