SCHEMBL8616367

SCHEMBL8616367

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
TACR3 P29371 6/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TACR2 P21452 2/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8620618 0.85 ACP1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8616283 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614043 0.83 KMT2A (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614847 0.83 ACP1 (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614067 0.82 HTT (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8620889 0.82 HTT (0.61) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8613257 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614755 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL8619430 0.81 HTT (0.60) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8615050 0.80 KMT2A (0.66) MEN1KMT2AALDH1A1HPGDKDM4E

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