SCHEMBL16639031

SCHEMBL16639031

Cc1ccccc1C1Nc2ccccc2S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
IDO1 P14902 2/20 0.47
PBRM1 Q86U86 3/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HTR2C P28335 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3B P49841 1/20 0.33
BACE1 P56817 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
SCHEMBL27904252 0.79 RAB9A (0.51) RAB9AIDO1PBRM1TNKS2MEN1
SCHEMBL14299538 0.79 RAB9A (0.68) RAB9AIDO1MEN1KMT2ABRD4
SCHEMBL4907179 0.77 RAB9A (0.66) RAB9AIDO1MEN1KMT2ABRD4
SCHEMBL11754085 0.76 RAB9A (0.49) RAB9AIDO1MEN1KMT2AALDH1A1
SCHEMBL19055937 0.75 RAB9A (0.48) RAB9AIDO1MEN1KMT2ABRD4
SCHEMBL20114413 0.75 RAB9A (0.48) RAB9AIDO1MEN1KMT2ABRD4
SCHEMBL29344256 0.75 RAB9A (0.48) RAB9AIDO1MEN1KMT2ABRD4
SCHEMBL7059851 0.74 RAB9A (0.70) RAB9AIDO1MEN1KMT2AALDH1A1
SCHEMBL2528236 0.73 KDM4E (0.45) RAB9AIDO1MEN1KMT2AALDH1A1
SCHEMBL434104 0.73 IDO1 (0.53) RAB9AIDO1TNKS2HTR2CMEN1

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
EP-2860784-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT-EMITING ELEMENT Toray Industries, Inc. (JP) 2015-04-15 EP disclosed