SCHEMBL8615862

SCHEMBL8615862

CC(C)C(C)c1cccc2nc(-c3ccccc3)cc(C(=O)NC(=N)N)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.46
PTGER4 P35408 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX12 P18054 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TACR2 P21452 2/20 0.41

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
SCHEMBL8616630 0.90 TACR3 (0.44) TACR3PTGER4TSHRMEN1KMT2A
SCHEMBL8617784 0.87 TACR3 (0.43) TACR3PTGER4TSHRMEN1KMT2A
SCHEMBL8618932 0.84 PTGER4 (0.55) TACR3PTGER4MEN1KMT2AALDH1A1
SCHEMBL8616258 0.84 MEN1 (0.46) TACR3PTGER4TSHRMEN1KMT2A
SCHEMBL8617715 0.82 MEN1 (0.46) TACR3PTGER4MEN1KMT2AALDH1A1
SCHEMBL8613359 0.82 MEN1 (0.46) TACR3PTGER4MEN1KMT2AALDH1A1
SCHEMBL8618116 0.82 ADORA1 (0.47) TACR3PTGER4TSHRMEN1KMT2A
SCHEMBL8616592 0.81 MEN1 (0.46) TACR3PTGER4MEN1KMT2AALDH1A1
SCHEMBL8615781 0.81 CA12 (0.44) TACR3PTGER4MEN1KMT2AALDH1A1
SCHEMBL8620626 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD

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