SCHEMBL8613178

SCHEMBL8613178

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TACR3 P29371 10/20 0.48
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
DHODH Q02127 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8616700 0.96 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8615847 0.91 TACR3 (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8615153 0.89 TACR3 (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8619250 0.89 ATM (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8617282 0.88 TACR3 (0.48) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8620889 0.85 HTT (0.61) MEN1KMT2AALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL8619430 0.84 HTT (0.60) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8616008 0.84 DHODH (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8618730 0.84 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8617803 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDHTT

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