SCHEMBL8616368

SCHEMBL8616368

CCC(C)(C)c1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.41
PDE10A Q9Y233 3/20 0.38
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8620622 0.85 ACP1 (0.56) ACP1PDE10AMEN1KMT2AKDM4E
SCHEMBL8614048 0.84 ACP1 (0.42) ACP1PDE10AABCB1ABCC1ABCG2
SCHEMBL8616287 0.84 PDE10A (0.49) ACP1PDE10AABCB1ABCC1ABCG2
SCHEMBL8614071 0.83 PDE10A (0.40) ACP1PDE10AABCB1ABCC1ABCG2
SCHEMBL8620892 0.82 HTT (0.47) ACP1MEN1KMT2AGALR3HTT
SCHEMBL8613259 0.82 PDE10A (0.42) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8614757 0.81 PDE10A (0.44) ACP1PDE10AABCB1ABCC1ABCG2
SCHEMBL8614301 0.81 PDE10A (0.42) ACP1PDE10AKDM4EGLA
SCHEMBL8615054 0.81 PDE10A (0.55) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8616415 0.81 ACP1 (0.42) ACP1PDE10AABCB1ABCC1ABCG2

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