SCHEMBL12445232

SCHEMBL12445232

[C-]#[N+]Cc1ccc(C=C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL30028871 0.72 HRH3 (0.41) TSHR
SCHEMBL50300 0.72 ALDH1A1 (0.65) ALDH1A1TSHRTDP1POLBHDAC8
SCHEMBL1647493 0.72 ALDH1A1 (0.65) ALDH1A1TSHRTDP1POLBHDAC8
SCHEMBL50012 0.72 ALDH1A1 (0.65) ALDH1A1TSHRTDP1POLBHDAC8
SCHEMBL473081 0.71 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8MAPT
SCHEMBL7639 0.71 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8MAPT
SCHEMBL30205203 0.70 ALDH1A1 (0.61) ALDH1A1TSHRTDP1POLBHDAC8
SCHEMBL248030 0.70 ALDH1A1 (0.61) ALDH1A1TSHRTDP1POLBHDAC8
SCHEMBL5672968 0.70 IDO1 (0.48)
SCHEMBL810410 0.70 ALDH1A1 (0.52) ALDH1A1TSHRTDP1POLBHDAC8

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-8993697-B2 Conducting and semiconducting organic materials Commonwealth Scientific and Industrial Research Institute Organisation (AU) 2015-03-31 US disclosed
US-20130289217-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-31 US disclosed
US-8501889-B2 Conducting and semiconducting organic materials COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-08-06 US disclosed
US-20110166298-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL ORGANISATION (AU) 2011-07-07 US disclosed