SCHEMBL19985960

SCHEMBL19985960

c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)cc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
TP53 P04637 4/20 0.34
MAPT P10636 7/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGIR P43119 1/20 0.31
CYP1A2 P05177 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL17405698 0.94 GPR3 (0.37) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL17405406 0.94 GPR3 (0.37) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL17228967 0.94 GPR3 (0.37) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL19985946 0.92 MAPT (0.38) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL19985972 0.92 TP53 (0.35) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL19986004 0.90 GPR3 (0.33) GPR3TP53MAPT
SCHEMBL17406038 0.90 ATM (0.37) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL17405814 0.90 ATM (0.37) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL17405841 0.90 GPR3 (0.38) GPR3TP53MAPTRXFP1ALDH1A1
SCHEMBL24172271 0.89 TP53 (0.32) GPR3TP53MAPTRXFP1ALDH1A1

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed