SCHEMBL12853993

SCHEMBL12853993

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3n2)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
AR P10275 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 4/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 4/20 0.52
PKM P14618 3/20 0.52

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
Bromide SCHEMBL20502170 0.98 PTGS2 (0.56) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL29612534 0.88 NPC1 (0.53) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL28730681 0.88 NPC1 (0.53) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL29986307 0.87 PTGS2 (0.64) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL18321130 0.87 PTGS2 (0.64) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL30103630 0.86 PTGS2 (0.62) PTGS2RAB9ANPC1MEN1KMT2A
Bromide SCHEMBL28995098 0.86 PTGS2 (0.62) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL29374931 0.85 RAB9A (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL170196 0.85 RAB9A (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL669871 0.85 RAB9A (0.55) PTGS2RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed