SCHEMBL7784690

SCHEMBL7784690

Cc1ccc(N)c(N(CCO)CCO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.36
CA1 P00915 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
S100B P04271 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5827179 0.85 ALDH1A1 (0.44) TDP1ALOX15SMN1; SMN2CYP3A4TP53
SCHEMBL844525 0.81 ALDH1A1 (0.35) TDP1ALOX15CYP3A4THRBALDH1A1
SCHEMBL1341419 0.79 S100B (0.50) TDP1ALOX15SMN1; SMN2CYP3A4TP53
SCHEMBL27646991 0.77 TDP1 (0.36) TDP1ALOX15SMN1; SMN2CYP3A4TP53
Hydrochloric Acid SCHEMBL27845061 0.77 S100B (0.48) TDP1ALOX15SMN1; SMN2CYP3A4TP53
SCHEMBL380688 0.77 ALDH1A1 (0.45) TDP1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL9619800 0.75 ACHE (0.47) TDP1CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL3921803 0.73 ALDH1A1 (0.55) TDP1ALOX15SMN1; SMN2CYP3A4TP53
SCHEMBL2521854 0.72 MEN1 (0.47) TDP1ALOX15SMN1; SMN2CYP3A4THRB
SCHEMBL6570740 0.71 ALDH1A1 (0.38) TDP1SMN1; SMN2TP53ALDH1A1HSD17B10

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
EP-0720993-B1 Radically polymerisable compositions and their use DELO INDUSTRIEKLEBSTOFFE GMBH (DE) 2001-10-24 EP disclosed
EP-0720993-A2 Radically polymerisable compositions and their use THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1996-07-10 EP disclosed