SCHEMBL16610099

SCHEMBL16610099

O=C(CCC(=O)NCCn1ccnc1)NCCn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.58
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TBXAS1 P24557 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
IDE P14735 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12424659 0.90 MEN1 (0.57) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL24096162 0.89 EGLN3 (0.47) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL19051479 0.88 TBXAS1 (0.63) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL15014468 0.86 KDM4E (0.55) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL16807523 0.86 ALDH1A1 (0.55) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL9370041 0.86 EGLN3 (0.59) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL4156721 0.86 ALDH1A1 (0.51) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL18381270 0.85 TBXAS1 (0.51) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL18381194 0.84 TBXAS1 (0.63) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL18381348 0.84 ALDH1A1 (0.47) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2

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
US-9260663-B2 Liquid crystal composition, liquid crystal display, and method for producing liquid crystal display JSR CORPORATION (JP) 2016-02-16 US disclosed
US-20150092147-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2015-04-02 US disclosed