SCHEMBL8615847

SCHEMBL8615847

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TSHR P16473 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
SCHEMBL8613178 0.91 MEN1 (0.48) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8616700 0.88 ALDH1A1 (0.45) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8615153 0.88 TACR3 (0.47) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8619250 0.87 ATM (0.47) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8617282 0.86 TACR3 (0.48) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8616439 0.83 TACR3 (0.52) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8620889 0.83 HTT (0.61) TACR3MEN1KMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8619430 0.82 HTT (0.60) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8616008 0.82 DHODH (0.47) TACR3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8618730 0.82 SMN1; SMN2 (0.56) TACR3MEN1KMT2ASMN1; SMN2HTT

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