SCHEMBL14063133

SCHEMBL14063133

c1cc(-c2cnc(-c3ccc(OCC4CO4)cc3)nc2)ccc1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TP53 P04637 4/20 0.51
TSHR P16473 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
HIF1A Q16665 2/20 0.51
PKM P14618 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
CYP3A4 P08684 1/20 0.49
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL14062970 0.92 TDP1 (0.56) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL14063134 0.89 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL14062670 0.89 ALDH1A1 (0.58) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL7880271 0.88 TDP1 (0.51) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL14062974 0.87 TDP1 (0.54) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL18535692 0.86 TDP1 (0.70) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL21202704 0.86 TDP1 (0.70) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL49248 0.86 TDP1 (0.70) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL2720991 0.86 TDP1 (0.70) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL14640884 0.86 TDP1 (0.70) TDP1ALDH1A1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 US disclosed