SCHEMBL19986004

SCHEMBL19986004

c1ccc2c(c1)sc1ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
LIMK1 P53667 1/20 0.32
ALOX5 P09917 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL19985962 0.93 ALDH1A1 (0.35) GPR3LIMK1ALOX5TP53MAPT
SCHEMBL19985908 0.93 TP53 (0.32) LIMK1ALOX5TP53MAPT
SCHEMBL19986003 0.91 MAPT (0.34) GPR3LIMK1ALOX5TP53MAPT
SCHEMBL19985960 0.90 GPR3 (0.36) GPR3TP53MAPT
SCHEMBL19985904 0.89 KDM4E (0.33) LIMK1ALOX5TP53MAPT
SCHEMBL19985919 0.89 L3MBTL1 (0.37) LIMK1TP53MAPT
SCHEMBL19985970 0.89 L3MBTL1 (0.37) LIMK1TP53MAPT
SCHEMBL19985906 0.89 TP53 (0.30) TP53
SCHEMBL19985916 0.89 KDM4E (0.40) LIMK1TP53MAPT
SCHEMBL19985939 0.87 PMM2 (0.34) 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