SCHEMBL8620924

SCHEMBL8620924

CC(C)COc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ATM Q13315 1/20 0.53
TACR3 P29371 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL8620364 0.91 MEN1 (0.52) DHODHMEN1KMT2AATMTACR3
SCHEMBL8615050 0.89 KMT2A (0.66) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8617869 0.87 TACR3 (0.49) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8614059 0.87 KMT2A (0.56) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8618106 0.87 KMT2A (0.54) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8614755 0.87 MEN1 (0.54) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8618730 0.87 SMN1; SMN2 (0.56) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8613962 0.86 KMT2A (0.55) DHODHMEN1KMT2AATMTACR3
SCHEMBL8614866 0.86 KMT2A (0.51) MEN1KMT2AATMTACR3SMN1; SMN2
SCHEMBL8619672 0.86 KMT2A (0.50) MEN1KMT2AATMTACR3SMN1; SMN2

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