SCHEMBL28812809

SCHEMBL28812809

CCO[Si](C)(OCC)Oc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 1/20 0.39
GABRA5 P31644 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
CYP2D6 P10635 2/20 0.37
KCNE1 P15382 1/20 0.37
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7013251 0.76 KDM4E (0.46) KCNA5KCNH2GABRA5KDM4ELMNA
SCHEMBL29968555 0.76
SCHEMBL152133 0.76
Hydrochloric Acid SCHEMBL8915319 0.74 NPC1 (0.44) GABRA5KDM4ELMNACYP1A2POLB
SCHEMBL5405845 0.72 LTA4H (0.42) KCNH2KDM4ELMNANPC1ALDH1A1
SCHEMBL4519903 0.71 KCNA5 (0.38) KCNA5KCNH2KDM4ELMNACYP1A2
Formaldehyde SCHEMBL27984147 0.71 TSHR (0.43) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL18328033 0.71 NOS3 (0.38) KCNA5KCNH2KDM4ELMNACYP1A2
Formic Acid SCHEMBL27529182 0.70 TSHR (0.43) KDM4ELMNACYP2D6PTGS2NPC1
Pyridine SCHEMBL13505260 0.69 GABRA5 (0.42) GABRA5KDM4ELMNACYP1A2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026826-B Process for producing modified conjugated diene polymer, and rubber composition and tire each produced using same BRIDGESTONE CORP 2015-01-14 CN disclosed