SCHEMBL8615218

SCHEMBL8615218

CCC(C)COc1ccc2c(C(=O)NC(=N)N)cc(-c3ccccc3C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 7/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 4/20 0.44
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
LMNA P02545 5/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
GALR3 O60755 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL8615849 0.92 TACR3 (0.48) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8616574 0.92 TACR3 (0.45) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8613384 0.89 KDM4E (0.48) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8613986 0.86 TACR3 (0.48) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8615568 0.85 TACR3 (0.46) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8617678 0.84 ALDH1A1 (0.46) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8619345 0.84 CA2 (0.55) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8618938 0.83 CA2 (0.49) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8616485 0.82 LMNA (0.58) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8615492 0.82 CA2 (0.53) TACR3ALDH1A1KDM4EMEN1KMT2A

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