SCHEMBL19985939

SCHEMBL19985939

c1ccc2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 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
SCHEMBL19985924 0.93 PDPK1 (0.32)
SCHEMBL19985906 0.92 TP53 (0.30) TP53
SCHEMBL19985905 0.91 MAPT (0.34) PMM2MPIPHOSPHO1TP53S1PR4
SCHEMBL19985921 0.91 PMM2 (0.39) PMM2MPIPHOSPHO1TP53RXFP1
SCHEMBL19985908 0.90 TP53 (0.32) TP53RXFP1
SCHEMBL19985904 0.88 KDM4E (0.33) TP53RXFP1
SCHEMBL19985970 0.88 L3MBTL1 (0.37) TP53RXFP1
SCHEMBL19985919 0.88 L3MBTL1 (0.37) TP53RXFP1
SCHEMBL19986004 0.87 GPR3 (0.33) TP53
SCHEMBL19985962 0.87 ALDH1A1 (0.35) TP53

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