Sugi Predict

Sugi Predict / Compounds / SCHEMBL16996541

SCHEMBL16996541

SCHEMBL16996541

c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL24904661 0.99 ALOX5 (0.32) ALOX5PDK2
SCHEMBL16996528 0.97 PIM3 (0.32) ALOX5PDK2
SCHEMBL16996505 0.97 PIM3 (0.32) ALOX5PDK2
SCHEMBL16996479 0.97 ALOX5 (0.34) ALOX5GPR3ALDH1A1POLBMAPT
SCHEMBL24646242 0.96 PDK2 (0.31) ALOX5PDK2
SCHEMBL16996247 0.95 ALOX5 (0.31) ALOX5
SCHEMBL16996555 0.94 ALOX5 (0.34) ALOX5GPR3ALDH1A1POLBMAPT
SCHEMBL16996519 0.94 PIM3 (0.32) ALOX5PDK2
SCHEMBL18212100 0.94 PIM3 (0.32) ALOX5PDK2
SCHEMBL16996338 0.94 PIM3 (0.33) PDK2

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-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 — — US disclosed
US-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 — — US disclosed