SCHEMBL8619973

SCHEMBL8619973

Cc1ccccc1-c1cc(NC(=N)NC=O)c2c(OC(C)C(C)C)cccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.34
HTT P42858 4/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NOTUM Q6P988 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
GALR3 O60755 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TGFBR1 P36897 1/20 0.31
RAB9A P51151 1/20 0.31
ACP1 P24666 1/20 0.31

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
SCHEMBL8619913 0.88 TGFBR1 (0.39) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8617704 0.86 KDM4E (0.33) TACR3HTTTSHRALDH1A1HPGD
SCHEMBL8620877 0.85 HTT (0.39) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8615489 0.85 KCNH2 (0.35) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8615341 0.85 MEN1 (0.39) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8616443 0.84 ACP1 (0.41) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8617868 0.84 HTT (0.37) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8613232 0.84 TACR3 (0.36) TACR3HTTTSHRALDH1A1HPGD
SCHEMBL8618522 0.84 ABL1 (0.36) TACR3HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL8620858 0.83 MAPT (0.41) TACR3HTTALDH1A1HPGDSMN1; 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