SCHEMBL8617282

SCHEMBL8617282

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TACR2 P21452 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL8615153 0.92 TACR3 (0.47) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8619250 0.89 ATM (0.47) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8613178 0.88 MEN1 (0.48) TACR3MEN1KMT2AALDH1A1HPGD
SCHEMBL8615847 0.86 TACR3 (0.47) TACR3MEN1KMT2AALDH1A1HPGD
SCHEMBL8614865 0.86 KMT2A (0.49) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8616700 0.84 ALDH1A1 (0.45) TACR3MEN1KMT2AALDH1A1HPGD
SCHEMBL8615050 0.83 KMT2A (0.66) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8616283 0.82 MEN1 (0.50) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8613257 0.82 MEN1 (0.50) TACR3MEN1KMT2AATMALDH1A1
SCHEMBL8617414 0.82 TACR3 (0.48) TACR3MEN1KMT2AALDH1A1KDM4E

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