SCHEMBL15466009

SCHEMBL15466009

CCOc1ccc2c3ccccc3n(CC)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
THRB P10828 1/20 0.59
PSEN1 P49768 11/20 0.52
PSEN2 P49810 11/20 0.52
APH1B Q8WW43 11/20 0.52
NCSTN Q92542 11/20 0.52
APH1A Q96BI3 11/20 0.52
PSENEN Q9NZ42 11/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HBB P68871 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM1A O60341 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
SCHEMBL15465974 0.90 TP53 (0.66) TP53THRBMAPTALDH1A1MEN1
SCHEMBL23148493 0.85 GRIK2 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15465982 0.82 MAPT (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19910996 0.82 TP53 (0.64) TP53THRBMAPTALDH1A1MEN1
Diethylamine SCHEMBL15832827 0.79 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13979310 0.79 KDM4E (0.70) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL16792220 0.79 ADRB2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL151563 0.78 ALDH1A1 (0.75) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL29963695 0.78 ALDH1A1 (0.75) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL29360167 0.78 ALDH1A1 (0.75) TP53MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US disclosed
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US disclosed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US disclosed