Sugi Predict

Sugi Predict / Compounds / SCHEMBL9968181

SCHEMBL9968181

SCHEMBL9968181

CC(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccncc4c4cc(CC(C)C)ccc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.34
▸ ALOX5AP P20292 5/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ MAOA P21397 5/20 0.33
▸ MAOB P27338 5/20 0.33
▸ ACHE P22303 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL24988434 0.80 KDM4E (0.44) RENCYP2D6MAOAMAOBACHE
SCHEMBL9968182 0.78 KDM4E (0.50) RENCYP2D6MAOAMAOBACHE
SCHEMBL19837801 0.78 KDM4E (0.50) RENCYP2D6MAOAMAOBACHE
SCHEMBL9968177 0.78 KDM4E (0.50) RENCYP2D6MAOAMAOBACHE
SCHEMBL17463349 0.76 ATM (0.36) RENMAOAMAOBACHECDK4
SCHEMBL20710251 0.75 KDM4E (0.55) PTGS2
SCHEMBL15762300 0.74 CDK4 (0.43) RENCDK4CDK6
SCHEMBL21453319 0.74 CYP1A2 (0.43) ALOX5APRAB9A
SCHEMBL9968250 0.74 KDM4E (0.34) ALOX5APPTGS2
SCHEMBL10126581 0.74 SMN1; SMN2 (0.42) —

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed