SCHEMBL8615877

SCHEMBL8615877

Cc1cccc(C)c1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACP1 P24666 1/20 0.39
TGFBR1 P36897 1/20 0.39
MAPK1 P28482 1/20 0.39
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8618203 0.92 HTT (0.40) PTGER4HTTMEN1KMT2AABCB1
SCHEMBL8620892 0.88 HTT (0.47) PTGER4HTTMEN1KMT2AACP1
SCHEMBL8619298 0.88 ACP1 (0.44) PTGER4HTTMEN1KMT2AABCB1
SCHEMBL8619356 0.85 ACP1 (0.42) HTTMEN1KMT2AABCB1ABCC1
SCHEMBL8618948 0.84 MEN1 (0.50) PTGER4HTTMEN1KMT2AABCB1
SCHEMBL8618150 0.84 KDM4E (0.48) HTTMEN1KMT2AACP1RAB9A
SCHEMBL8617753 0.84 ACP1 (0.51) MEN1KMT2AABCB1ABCC1ABCG2
SCHEMBL8618939 0.84 ACP1 (0.44) HTTMEN1KMT2AABCB1ABCC1
SCHEMBL8615355 0.84 PDE10A (0.55) MEN1KMT2AABCB1ABCC1ABCG2
SCHEMBL8616273 0.83 KMT2A (0.48) HTTMEN1KMT2AACP1SMN1; 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