SCHEMBL8617869

SCHEMBL8617869

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ATM Q13315 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 4/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL8617527 0.92 KMT2A (0.50) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8614865 0.91 KMT2A (0.49) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8618730 0.90 SMN1; SMN2 (0.56) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8616439 0.89 TACR3 (0.52) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8620924 0.87 DHODH (0.53) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8617742 0.85 TACR3 (0.63) TACR3KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8619250 0.84 ATM (0.47) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8620364 0.84 MEN1 (0.52) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8615050 0.84 KMT2A (0.66) TACR3KMT2AMEN1ATMSMN1; SMN2
SCHEMBL8614755 0.82 MEN1 (0.54) TACR3KMT2AMEN1ATMSMN1; 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