SCHEMBL8616008

SCHEMBL8616008

CC(C)Cc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TACR3 P29371 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C9 P11712 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALPL P05186 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
SCHEMBL8616283 0.89 MEN1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2CACNA1B
SCHEMBL8613257 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2CACNA1B
SCHEMBL8614067 0.85 HTT (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2CACNA1B
SCHEMBL8614299 0.84 DHODH (0.48) DHODHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8613178 0.84 MEN1 (0.48) DHODHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8619250 0.84 ATM (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2CACNA1B
SCHEMBL8618646 0.84 KDM4E (0.48) DHODHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8616653 0.83 KDM4E (0.50) DHODHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8620924 0.83 DHODH (0.53) DHODHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8615153 0.82 TACR3 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2CACNA1B

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