SCHEMBL27643267

SCHEMBL27643267

OC1(c2ccccc2)c2ccccc2-c2cccc(-c3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDK2 Q15119 8/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
BACE1 P56817 1/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL813078 0.82 THRB (0.52) THRBTDP1PDK2ALDH1A1P2RX1
SCHEMBL30345614 0.82 THRB (0.52) THRBTDP1PDK2ALDH1A1P2RX1
SCHEMBL16684038 0.81 ALDH1A1 (0.47) THRBTDP1PDK2ALDH1A1HPGD
SCHEMBL10338059 0.80 PDK2 (0.42) THRBTDP1PDK2ALDH1A1HSD17B10
SCHEMBL27623776 0.80 PDK2 (0.43) THRBTDP1PDK2ALDH1A1HPGD
SCHEMBL30217950 0.80 PDK2 (0.42) THRBTDP1PDK2ALDH1A1P2RX1
SCHEMBL7315929 0.80 PDK2 (0.42) THRBTDP1PDK2ALDH1A1P2RX1
SCHEMBL27748647 0.80 PDK2 (0.42) THRBTDP1PDK2ALDH1A1P2RX1
SCHEMBL2454330 0.80 THRB (0.56) THRBTDP1PDK2ALDH1A1HPGD
SCHEMBL17816933 0.80 THRB (0.50) THRBTDP1PDK2ALDH1A1P2RX1

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
CN-1769269-A End-blocked triarylamine and carbazoles material, handling method and uses UNIV FUDAN (CN) 2006-05-10 CN disclosed
CN-1743409-A End capped thiofuran small-molecule and polymer material, treating method and use thereof UNIV FUDAN (CN) 2006-03-08 CN disclosed