SCHEMBL8613481

SCHEMBL8613481

Cc1cccc2c(C(=O)NC(=N)N)cc(-c3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
PTGER4 P35408 2/20 0.55
PLAUR Q03405 1/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX12 P18054 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
CYP2C9 P11712 1/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.49

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
SCHEMBL8613361 0.96 KDM4E (0.52) KDM4ELMNAHTTPTGER4PLAUR
SCHEMBL8615990 0.87 CCR6 (0.57) KDM4ELMNAHTTPTGER4POLB
SCHEMBL8616695 0.87 MEN1 (0.46) KDM4ELMNAPTGER4ALDH1A1MEN1
SCHEMBL8618761 0.86 MEN1 (0.56) KDM4ELMNAPTGER4POLBALDH1A1
SCHEMBL8619899 0.86 MEN1 (0.46) KDM4ELMNAPTGER4ALDH1A1MEN1
SCHEMBL8617709 0.85 PDE10A (0.69) KDM4EHTTPOLBALDH1A1MEN1
SCHEMBL8618914 0.85 CYP2C9 (0.46) LMNAPTGER4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8619359 0.84 CYP2C9 (0.46) LMNAPTGER4ALDH1A1MEN1KMT2A
SCHEMBL8618987 0.84 KMT2A (0.51) KDM4EPTGER4POLBALDH1A1MEN1
SCHEMBL8620105 0.84 PDE10A (0.45) KDM4EPTGER4POLBALDH1A1MEN1

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