SCHEMBL28044003

SCHEMBL28044003

O=C(C(CNc1ccccc1)c1ccccc1)C(CNc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41

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
SCHEMBL13285509 0.89 CYP2C19 (0.50) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL27568201 0.88 MEN1 (0.51) ALDH1A1CRHBPCRHR2LMNAMAPT
SCHEMBL28095287 0.88 CNR1 (0.49) ALDH1A1SMN1; SMN2CRHBPCRHR2MAPT
SCHEMBL11604190 0.82 SMN1; SMN2 (0.43) ALDH1A1POLBSMN1; SMN2CRHBPCRHR2
SCHEMBL28292761 0.78 TAAR1 (0.52) ALDH1A1POLBSMN1; SMN2CRHBPCRHR2
SCHEMBL9285815 0.78 SMN1; SMN2 (0.56) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL9290103 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5514976 0.75 MAPT (0.48) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL2308839 0.74 MAPT (0.52) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL13282525 0.74 CNR2 (0.48) POLBMAPTMEN1KMT2AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143281-B Tridentate nitrogen-based ligands for olefin polymerization catalysts 尤尼威蒂恩技术有限责任公司 2018-06-01 CN disclosed
CN-105143281-A Tridentate nitrogen-based ligands for olefin polymerization catalysts UNIVATION TECH LLC 2015-12-09 CN disclosed