SCHEMBL8616636

SCHEMBL8616636

CCc1ccc2nc(-c3ccccc3)cc(C(=O)NC(=N)N)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
TACR3 P29371 4/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
PLA2G2A P14555 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TACR2 P21452 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8619212 0.89 DHODH (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8616486 0.86 TACR3 (0.47) KDM4EALDH1A1MEN1KMT2ATACR3
SCHEMBL8614044 0.86 TACR3 (0.46) KDM4EALDH1A1TACR3LMNATACR2
SCHEMBL8613846 0.85 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8615878 0.84 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8619650 0.84 TSHR (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8617515 0.84 EPRS1 (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8615678 0.84 ESR1 (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8617743 0.83 CYP3A4 (0.65) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8617924 0.83 TACR3 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; 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