SCHEMBL8614865

SCHEMBL8614865

CCCC(C)Oc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ATM Q13315 2/20 0.49
TACR3 P29371 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 4/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL8617527 0.93 KMT2A (0.50) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8617869 0.91 TACR3 (0.49) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8618730 0.88 SMN1; SMN2 (0.56) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8616439 0.88 TACR3 (0.52) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8617282 0.86 TACR3 (0.48) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614059 0.85 KMT2A (0.56) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8615050 0.84 KMT2A (0.66) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8620382 0.84 MEN1 (0.41) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8613962 0.84 KMT2A (0.55) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8620924 0.84 DHODH (0.53) KMT2AMEN1ATMTACR3SMN1; SMN2

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