SCHEMBL28928009

SCHEMBL28928009

O=C(NC(c1ccccc1)c1ccccc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
OPRK1 P41145 1/20 0.60
EPHX2 P34913 1/20 0.59
HPGDS O60760 2/20 0.56
ALDH1A1 P00352 3/20 0.55
S1PR2 O95136 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR3 Q99500 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
SLC2A1 P11166 1/20 0.52
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
METAP2 P50579 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL31644092 0.91 S1PR3 (0.66) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL9848406 0.80 AKT1 (0.61) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL8924030 0.80 LMNA (0.54) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL4942910 0.80 CTSA (0.60) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL15145589 0.79 KDM4E (0.54) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL1106971 0.79 KDM4E (0.63) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL7058262 0.79 KDM4E (0.52) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL8580257 0.78 KDM4C (0.66) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL8580260 0.78 KDM4C (0.66) HTTLMNAKDM4ESMN1; SMN2TDP1
SCHEMBL27553175 0.77 ALDH1A1 (0.61) HTTLMNAKDM4ESMN1; SMN2TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115558119-B Nickel-containing coordination polymer, nickel-containing coordination polymer composite material and application 辽宁大学 2023-08-11 CN claimed
CN-115557975-A Cu-based mixed ligand photo-Fenton catalyst and preparation method and application thereof 辽宁大学 2023-01-03 CN claimed
CN-118439994-A Preparation method of 2-pyridine carboxamide compound 江阴迈康升华医药科技有限公司 2024-08-06 CN disclosed
CN-115558119-B Nickel-containing coordination polymer, nickel-containing coordination polymer composite material and application 辽宁大学 2023-08-11 CN disclosed
CN-115557975-A Cu-based mixed ligand photo-Fenton catalyst and preparation method and application thereof 辽宁大学 2023-01-03 CN disclosed
CN-115558119-A Nickel-containing coordination polymer, nickel-containing coordination polymer composite material and application 辽宁大学 2023-01-03 CN disclosed