SCHEMBL8620190

SCHEMBL8620190

Cc1ccccc1-c1cc(NC(=N)NC=O)c2cccc(OC(C)(C)C(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TACR3 P29371 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 4/20 0.31
GFER P55789 1/20 0.30
ALDH1A1 P00352 3/20 0.30
HPGD P15428 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
MAPT P10636 2/20 0.30
GPR55 Q9Y2T6 1/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
GALR3 O60755 1/20 0.30
POLB P06746 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8613400 0.86 GFER (0.41) MEN1KMT2AHTTGFERALDH1A1
SCHEMBL8620017 0.84 DHODH (0.37) MEN1KMT2ATACR3TP53HTT
SCHEMBL8617403 0.84 KMT2A (0.41) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL8620384 0.83 MCHR1 (0.36) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8618902 0.82 TACR3 (0.32) MEN1KMT2ATACR3HTTMAPT
SCHEMBL8615146 0.82 ALDH1A1 (0.41) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL8617193 0.81 GAA (0.39) KMT2ATP53ALDH1A1HPGDKDM4E
SCHEMBL8617986 0.81 KDM4E (0.32) MEN1KMT2ATACR3HTTGFER
SCHEMBL8616305 0.81 MEN1 (0.36) MEN1KMT2ATACR3TP53HTT
SCHEMBL8617850 0.81 S1PR5 (0.37) HPGDTDP1

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